6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene

C44H28 — CID 59399025

IUPAC6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2cc3c4ccccc4c(-c4ccc5ccccc5c4)cc3c3ccccc23)c1
InChIInChI=1S/C44H28/c1-3-12-31-24-34(22-20-29(31)10-1)33-14-9-15-35(26-33)41-27-43-40-19-8-6-17-38(40)42(28-44(43)39-18-7-5-16-37(39)41)36-23-21-30-11-2-4-13-32(30)25-36/h1-28H
InChIKeyHBMFDGKAAOYMFT-UHFFFAOYSA-N
MW556.71 g/mol
LogP12.45
Rot. Bonds3

About 6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene

6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene (PubChem CID 59399025) has the molecular formula C44H28 and a molecular weight of 556.71 g/mol. Its IUPAC name is 6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene.

Molecular Properties

Compound Name6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene
PubChem CID59399025
Molecular FormulaC44H28
Molecular Weight556.71 g/mol
Exact Mass556.22
IUPAC Name6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2cc3c4ccccc4c(-c4ccc5ccccc5c4)cc3c3ccccc23)c1
InChIInChI=1S/C44H28/c1-3-12-31-24-34(22-20-29(31)10-1)33-14-9-15-35(26-33)41-27-43-40-19-8-6-17-38(40)42(28-44(43)39-18-7-5-16-37(39)41)36-23-21-30-11-2-4-13-32(30)25-36/h1-28H
InChIKeyHBMFDGKAAOYMFT-UHFFFAOYSA-N
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 512.45
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

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
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
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
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]triphenylene;2-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-[4-(4-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 159620221
2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene
CID 58511683
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
6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene
CID 59399019
4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene
CID 59638749
5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58037147
9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene
CID 58160982
2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene
CID 123747688

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene?
The IUPAC name of 6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene (CID 59399025) is 6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene.
What is the SMILES notation for 6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene?
The canonical SMILES for 6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene is c1cc(-c2ccc3ccccc3c2)cc(-c2cc3c4ccccc4c(-c4ccc5ccccc5c4)cc3c3ccccc23)c1.
What is the InChIKey of 6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene?
The InChIKey is HBMFDGKAAOYMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28/c1-3-12-31-24-34(22-20-29(31)10-1)33-14-9-15-35(26-33)41-27-43-40-19-8-6-17-38(40)42(28-44(43)39-18-7-5-16-37(39)41)36-23-21-30-11-2-4-13-32(30)25-36/h1-28H.
What are the key properties of 6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene?
6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene has a molecular weight of 556.71 g/mol, XLogP of 12.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene is sourced from PubChem (CID 59399025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).