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385-14-8

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Basic Information
CAS No.: 385-14-8
Name: BENZO[B]NAPHTHO[1,8,7-GHI]CHRYSENE
Article Data: 4
Molecular Structure:
Molecular Structure of 385-14-8 (BENZO[B]NAPHTHO[1,8,7-GHI]CHRYSENE)
Formula: C28H16
Molecular Weight: 352.435
Synonyms: Phenanthro[9,10-e]pyrene;
Density: 1.333 g/cm3
Boiling Point: 629.3 °C at 760 mmHg
Flash Point: 330.5 °C
PSA: 0.00000
LogP: 8.04360
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Specification

The Benzo[p]naphtho[1,8,7-ghi]chrysene is an organic compound with the formula C28H16. With the CAS registry number 385-14-8, the systematic name of this chemical is tribenzo[f,ij,no]tetraphene.

Physical properties about Benzo[p]naphtho[1,8,7-ghi]chrysene are: (1)ACD/LogP: 8.86; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.86; (4)ACD/LogD (pH 7.4): 8.86; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1579413.63; (8)ACD/KOC (pH 7.4): 1579413.63; (9)Index of Refraction: 1.931; (10)Molar Refractivity: 125.99 cm3; (11)Molar Volume: 264.3 cm3; (12)Polarizability: 49.94×10-24cm3; (13)Surface Tension: 68.7 dyne/cm; (14)Density: 1.333 g/cm3; (15)Flash Point: 330.5 °C; (16)Enthalpy of Vaporization: 89.7 kJ/mol; (17)Boiling Point: 629.3 °C at 760 mmHg; (18)Vapour Pressure: 4.58E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c2ccc1ccc4c3c1c2c7c(c3ccc4)c5ccccc5c6ccccc67
(2)InChI: InChI=1/C28H16/c1-3-11-21-19(9-1)20-10-2-4-12-22(20)28-24-14-6-8-18-16-15-17-7-5-13-23(27(21)28)25(17)26(18)24/h1-16H
(3)InChIKey: PCFZQDQXEZJNAF-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C28H16/c1-3-11-21-19(9-1)20-10-2-4-12-22(20)28-24-14-6-8-18-16-15-17-7-5-13-23(27(21)28)25(17)26(18)24/h1-16H
(5)Std. InChIKey: PCFZQDQXEZJNAF-UHFFFAOYSA-N