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68334-65-6

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Basic Information
CAS No.: 68334-65-6
Name: hexa[2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium] [orthosilicato(4-)]triheptacontaoxotetracosamolybdate(6-)
Molecular Structure:
Molecular Structure of 68334-65-6 (hexa[2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium] [orthosilicato(4-)]triheptacontaoxotetracosamolybdate(6-))
Formula: C401H468MoN32
Molecular Weight: 5832.1610
Synonyms: Hexa[2-[3-(1, 3-dihydro-1, 3, 3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1, 3, 3-trimethyl-3H-indolium] [orthosilicato(4-)]triheptacontaoxotetracosamolybdate(6-).;
EINECS: 269-841-0
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Specification

The Basic red 12, silicomolybdate, with the CAS registry number 68334-65-6, is also known as Hexa[2-[3-(1, 3-dihydro-1, 3, 3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1, 3, 3-trimethyl-3H-indolium] [orthosilicato(4-)]triheptacontaoxotetracosamolybdate(6-). This chemical's molecular formula is C401H468MoN32 and molecular weight is 5832.1610. What's more, its IUPAC name is Methane; molybdenum; (2E)-1, 3, 3-trimethyl-2-[(Z)-3-(1, 3, 3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole.

Physical properties about Basic red 12, silicomolybdate are: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 16; (3)Rotatable Bond Count: 32; (4)Exact Mass: 5830.669246; (5)MonoIsotopic Mass: 5829.665891; (6)Topological Polar Surface Area: 100; (7)Heavy Atom Count: 434; (8)Formal Charge: 16; (9)Complexity: 623; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 32; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 18.

You can still convert the following datas into molecular structure:
(1) SMILES: C.CC1(c2ccccc2[N+](=C1C=CC=C3C(c4ccccc4N3C)(C)C)C)C.CC1(c2ccccc2[N+](=C1C=CC=C3C(c4ccccc4N3C)(C)C)C)C.CC1(c2ccccc2[N+](=C1C=CC=C3C(c4ccccc4N3C)(C)C)C)C.CC1(c2ccccc2[N+](=C1C=CC=C3C(c4ccccc4N3C)(C)C)C)C.CC1(c2ccccc2[N+](=C1C=CC=C3C(c4ccccc4N3C)(C)C)C)C.CC1(c2ccccc2[N+](=C1C=CC=C3C(c4ccccc4N3C)(C)C)C)C.CC1(c2ccccc2[N+](=C1C=CC=C3C(c4ccccc4N3C)(C)C)C)C.CC1(c2ccccc2[N+](=C1C=CC=C3C(c4ccccc4N3C)(C)C)C)C.CC1(c2ccccc2[N+](=C1C=CC=C3C(c4ccccc4N3C)(C)C)C)C.CC1(c2ccccc2[N+](=C1C=CC=C3C(c4ccccc4N3C)(C)C)C)C.CC1(c2ccccc2[N+](=C1C=CC=C3C(c4ccccc4N3C)(C)C)C)C.CC1(c2ccccc2[N+](=C1C=CC=C3C(c4ccccc4N3C)(C)C)C)C.CC1(c2ccccc2[N+](=C1C=CC=C3C(c4ccccc4N3C)(C)C)C)C.CC1(c2ccccc2[N+](=C1C=CC=C3C(c4ccccc4N3C)(C)C)C)C.CC1(c2ccccc2[N+](=C1C=CC=C3C(c4ccccc4N3C)(C)C)C)C.CC1(c2ccccc2[N+](=C1C=CC=C3C(c4ccccc4N3C)(C)C)C)C.[Mo]
(2) InChI: InChI=1/16C25H29N2.CH4.Mo/c16*1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;;/h16*7-17H,1-6H3;1H4;/q16*+1;;
(3) InChIKey: YEGPMCOLIVPBLG-UHFFFAOYAP