9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-phenylchrysene;6-(7-phenylnaphthalen-2-yl)chrysene

C130H82 — CID 159119226

IUPAC9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-phenylchrysene;6-(7-phenylnaphthalen-2-yl)chrysene
SMILESc1ccc(-c2cc3c4ccccc4ccc3c3ccccc23)cc1.c1ccc(-c2ccc3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3c2)cc1.c1ccc2cc(-c3cc4c5ccccc5c5c6ccccc6ccc5c4c4ccccc34)ccc2c1.c1ccc2cc(-c3cc4c5ccccc5c5cc6ccccc6cc5c4c4ccccc34)ccc2c1
InChIInChI=1S/2C36H22.C34H22.C24H16/c1-2-11-25-21-26(18-17-23(25)9-1)33-22-34-29-14-6-8-16-31(29)35-27-12-4-3-10-24(27)19-20-32(35)36(34)30-15-7-5-13-28(30)33;1-2-10-24-19-27(18-17-23(24)9-1)32-22-35-29-14-6-5-13-28(29)33-20-25-11-3-4-12-26(25)21-34(33)36(35)31-16-8-7-15-30(31)32;1-2-8-23(9-3-1)26-16-14-24-15-17-27(21-28(24)20-26)33-22-34-29-11-5-4-10-25(29)18-19-32(34)30-12-6-7-13-31(30)33;1-2-8-17(9-3-1)23-16-24-19-11-5-4-10-18(19)14-15-22(24)20-12-6-7-13-21(20)23/h2*1-22H;1-22H;1-16H
InChIKeyKFLZCIWOXHVILA-UHFFFAOYSA-N
MW1644.09 g/mol
LogP36.99
Rot. Bonds5

About 9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-phenylchrysene;6-(7-phenylnaphthalen-2-yl)chrysene

9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-phenylchrysene;6-(7-phenylnaphthalen-2-yl)chrysene (PubChem CID 159119226) has the molecular formula C130H82 and a molecular weight of 1644.09 g/mol. Its IUPAC name is 9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-phenylchrysene;6-(7-phenylnaphthalen-2-yl)chrysene.

Molecular Properties

Compound Name9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-phenylchrysene;6-(7-phenylnaphthalen-2-yl)chrysene
PubChem CID159119226
Molecular FormulaC130H82
Molecular Weight1644.09 g/mol
Exact Mass1642.64
IUPAC Name9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-phenylchrysene;6-(7-phenylnaphthalen-2-yl)chrysene
SMILESc1ccc(-c2cc3c4ccccc4ccc3c3ccccc23)cc1.c1ccc(-c2ccc3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3c2)cc1.c1ccc2cc(-c3cc4c5ccccc5c5c6ccccc6ccc5c4c4ccccc34)ccc2c1.c1ccc2cc(-c3cc4c5ccccc5c5cc6ccccc6cc5c4c4ccccc34)ccc2c1
InChIInChI=1S/2C36H22.C34H22.C24H16/c1-2-11-25-21-26(18-17-23(25)9-1)33-22-34-29-14-6-8-16-31(29)35-27-12-4-3-10-24(27)19-20-32(35)36(34)30-15-7-5-13-28(30)33;1-2-10-24-19-27(18-17-23(24)9-1)32-22-35-29-14-6-5-13-28(29)33-20-25-11-3-4-12-26(25)21-34(33)36(35)31-16-8-7-15-30(31)32;1-2-8-23(9-3-1)26-16-14-24-15-17-27(21-28(24)20-26)33-22-34-29-11-5-4-10-25(29)18-19-32(34)30-12-6-7-13-31(30)33;1-2-8-17(9-3-1)23-16-24-19-11-5-4-10-18(19)14-15-22(24)20-12-6-7-13-21(20)23/h2*1-22H;1-22H;1-16H
InChIKeyKFLZCIWOXHVILA-UHFFFAOYSA-N
XLogP36.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001644.09
LogP ≤ 536.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-phenylchrysene;6-(7-phenylnaphthalen-2-yl)chrysene with MolForge

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Related Compounds

10-naphthalen-2-yl-21-(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629422
10-naphthalen-2-yl-21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629405
10-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;10-naphthalen-2-yl-21-phenylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-naphthalen-2-yl-10-phenylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;10-naphthalen-2-yl-21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-naphthalen-2-yl-10-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-naphthalen-2-yl-10-(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 158518187
9-(3-phenylphenyl)hexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 140710773
10,21-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629389
10-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629430
10-naphthalen-2-yl-21-(3-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629400
2-naphthalen-2-yl-4-[4-(10-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-1,3,5-triazine;2-[3-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 167669997
2-[6,12-di(phenanthren-2-yl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501184
5,10-diphenylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 134958577
6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene
CID 59399019
5-[3-(3-benzo[c]phenanthren-6-ylphenyl)phenyl]benzo[c]phenanthrene;5-[3-(4-naphthalen-2-ylphenyl)phenyl]benzo[c]phenanthrene;21-[3-[3-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;21-[4-(4-phenanthren-9-ylnaphthalen-1-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;5-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 162264958

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-phenylchrysene;6-(7-phenylnaphthalen-2-yl)chrysene?
The IUPAC name of 9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-phenylchrysene;6-(7-phenylnaphthalen-2-yl)chrysene (CID 159119226) is 9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-phenylchrysene;6-(7-phenylnaphthalen-2-yl)chrysene.
What is the SMILES notation for 9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-phenylchrysene;6-(7-phenylnaphthalen-2-yl)chrysene?
The canonical SMILES for 9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-phenylchrysene;6-(7-phenylnaphthalen-2-yl)chrysene is c1ccc(-c2cc3c4ccccc4ccc3c3ccccc23)cc1.c1ccc(-c2ccc3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3c2)cc1.c1ccc2cc(-c3cc4c5ccccc5c5c6ccccc6ccc5c4c4ccccc34)ccc2c1.c1ccc2cc(-c3cc4c5ccccc5c5cc6ccccc6cc5c4c4ccccc34)ccc2c1.
What is the InChIKey of 9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-phenylchrysene;6-(7-phenylnaphthalen-2-yl)chrysene?
The InChIKey is KFLZCIWOXHVILA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H22.C34H22.C24H16/c1-2-11-25-21-26(18-17-23(25)9-1)33-22-34-29-14-6-8-16-31(29)35-27-12-4-3-10-24(27)19-20-32(35)36(34)30-15-7-5-13-28(30)33;1-2-10-24-19-27(18-17-23(24)9-1)32-22-35-29-14-6-5-13-28(29)33-20-25-11-3-4-12-26(25)21-34(33)36(35)31-16-8-7-15-30(31)32;1-2-8-23(9-3-1)26-16-14-24-15-17-27(21-28(24)20-26)33-22-34-29-11-5-4-10-25(29)18-19-32(34)30-12-6-7-13-31(30)33;1-2-8-17(9-3-1)23-16-24-19-11-5-4-10-18(19)14-15-22(24)20-12-6-7-13-21(20)23/h2*1-22H;1-22H;1-16H.
What are the key properties of 9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-phenylchrysene;6-(7-phenylnaphthalen-2-yl)chrysene?
9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-phenylchrysene;6-(7-phenylnaphthalen-2-yl)chrysene has a molecular weight of 1644.09 g/mol, XLogP of 36.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-phenylchrysene;6-(7-phenylnaphthalen-2-yl)chrysene is sourced from PubChem (CID 159119226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).