5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene

C38H24 — CID 91537355

IUPAC5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene
SMILESc1ccc(-c2cc3ccccc3cc2-c2ccc3cc(-c4ccccc4)c4cccc5ccc2c3c54)cc1
InChIInChI=1S/C38H24/c1-3-10-25(11-4-1)34-24-30-19-20-31(33-21-18-27-16-9-17-32(34)37(27)38(30)33)36-23-29-15-8-7-14-28(29)22-35(36)26-12-5-2-6-13-26/h1-24H
InChIKeyCJKXOYVIAWFAJG-UHFFFAOYSA-N
MW480.61 g/mol
LogP10.74
Rot. Bonds3

About 5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene

5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene (PubChem CID 91537355) has the molecular formula C38H24 and a molecular weight of 480.61 g/mol. Its IUPAC name is 5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene.

Molecular Properties

Compound Name5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene
PubChem CID91537355
Molecular FormulaC38H24
Molecular Weight480.61 g/mol
Exact Mass480.19
IUPAC Name5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene
SMILESc1ccc(-c2cc3ccccc3cc2-c2ccc3cc(-c4ccccc4)c4cccc5ccc2c3c54)cc1
InChIInChI=1S/C38H24/c1-3-10-25(11-4-1)34-24-30-19-20-31(33-21-18-27-16-9-17-32(34)37(27)38(30)33)36-23-29-15-8-7-14-28(29)22-35(36)26-12-5-2-6-13-26/h1-24H
InChIKeyCJKXOYVIAWFAJG-UHFFFAOYSA-N
XLogP10.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 510.74
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

1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene
CID 169303240
1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
1-(2-phenyl-5-pyren-1-ylphenyl)pyrene
CID 156656853
1-pyren-4-ylpyrene
CID 71343129
1,6-di(phenanthren-9-yl)-3-(4-phenylphenyl)pyrene
CID 123971981
1-naphthalen-1-yl-6-[6-[6-(2-phenylphenyl)pyren-1-yl]pyren-1-yl]pyrene
CID 58908206
19-(4-pyren-1-ylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaene
CID 167412019
1,5-di(phenanthren-9-yl)pyrene
CID 155759767
1-[2,4,5-tri(pyren-1-yl)phenyl]pyrene;1-[4-[2,4,5-tris(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 162207927
3-(9,10-diphenylbenzo[k]fluoranthen-3-yl)-9,10-diphenylbenzo[k]fluoranthene
CID 58988796
1-[2-(4-phenyl-3-pyren-1-ylphenyl)phenyl]pyrene
CID 169303152
1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene
CID 123142819

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene?
The IUPAC name of 5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene (CID 91537355) is 5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene.
What is the SMILES notation for 5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene?
The canonical SMILES for 5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene is c1ccc(-c2cc3ccccc3cc2-c2ccc3cc(-c4ccccc4)c4cccc5ccc2c3c54)cc1.
What is the InChIKey of 5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene?
The InChIKey is CJKXOYVIAWFAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24/c1-3-10-25(11-4-1)34-24-30-19-20-31(33-21-18-27-16-9-17-32(34)37(27)38(30)33)36-23-29-15-8-7-14-28(29)22-35(36)26-12-5-2-6-13-26/h1-24H.
What are the key properties of 5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene?
5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene has a molecular weight of 480.61 g/mol, XLogP of 10.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene is sourced from PubChem (CID 91537355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).