6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene

C40H26 — CID 140792190

IUPAC6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene
SMILESc1cc(-c2ccc(-c3cc4c5ccccc5ccc4c4ccccc34)cc2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C40H26/c1-3-14-33-28(9-1)11-8-18-35(33)32-13-7-12-31(25-32)27-19-21-30(22-20-27)39-26-40-34-15-4-2-10-29(34)23-24-38(40)36-16-5-6-17-37(36)39/h1-26H
InChIKeyGPWIMCIBVUJTAU-UHFFFAOYSA-N
MW506.65 g/mol
LogP11.30
Rot. Bonds3

About 6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene

6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene (PubChem CID 140792190) has the molecular formula C40H26 and a molecular weight of 506.65 g/mol. Its IUPAC name is 6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene.

Molecular Properties

Compound Name6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene
PubChem CID140792190
Molecular FormulaC40H26
Molecular Weight506.65 g/mol
Exact Mass506.20
IUPAC Name6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene
SMILESc1cc(-c2ccc(-c3cc4c5ccccc5ccc4c4ccccc34)cc2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C40H26/c1-3-14-33-28(9-1)11-8-18-35(33)32-13-7-12-31(25-32)27-19-21-30(22-20-27)39-26-40-34-15-4-2-10-29(34)23-24-38(40)36-16-5-6-17-37(36)39/h1-26H
InChIKeyGPWIMCIBVUJTAU-UHFFFAOYSA-N
XLogP11.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene
CID 59399019
1-(3-naphthalen-1-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;1-(3-naphthalen-2-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;9-[4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[4-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;9-[4-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;2-[4-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]triphenylene;1-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)naphthalene;1-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)naphthalene;2-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)naphthalene
CID 159867264
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
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
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
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
2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene
CID 123541562
2-[6,12-di(phenanthren-2-yl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501184
2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629226
2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501319
6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene
CID 59399025

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene?
The IUPAC name of 6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene (CID 140792190) is 6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene.
What is the SMILES notation for 6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene?
The canonical SMILES for 6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene is c1cc(-c2ccc(-c3cc4c5ccccc5ccc4c4ccccc34)cc2)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of 6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene?
The InChIKey is GPWIMCIBVUJTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26/c1-3-14-33-28(9-1)11-8-18-35(33)32-13-7-12-31(25-32)27-19-21-30(22-20-27)39-26-40-34-15-4-2-10-29(34)23-24-38(40)36-16-5-6-17-37(36)39/h1-26H.
What are the key properties of 6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene?
6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene has a molecular weight of 506.65 g/mol, XLogP of 11.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene is sourced from PubChem (CID 140792190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).