1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene

C38H24 — CID 156656874

IUPAC1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc34)cc2)cc1
InChIInChI=1S/C38H24/c1-2-7-25(8-3-1)26-13-15-27(16-14-26)31-23-24-34(33-12-5-4-11-32(31)33)35-21-19-30-18-17-28-9-6-10-29-20-22-36(35)38(30)37(28)29/h1-24H
InChIKeyQNIPXDAWUOPXRI-UHFFFAOYSA-N
MW480.61 g/mol
LogP10.74
Rot. Bonds3

About 1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene

1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene (PubChem CID 156656874) has the molecular formula C38H24 and a molecular weight of 480.61 g/mol. Its IUPAC name is 1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene.

Molecular Properties

Compound Name1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
PubChem CID156656874
Molecular FormulaC38H24
Molecular Weight480.61 g/mol
Exact Mass480.19
IUPAC Name1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc34)cc2)cc1
InChIInChI=1S/C38H24/c1-2-7-25(8-3-1)26-13-15-27(16-14-26)31-23-24-34(33-12-5-4-11-32(31)33)35-21-19-30-18-17-28-9-6-10-29-20-22-36(35)38(30)37(28)29/h1-24H
InChIKeyQNIPXDAWUOPXRI-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'}

Analyze 1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-phenyl-5-pyren-1-ylphenyl)pyrene
CID 156656853
1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 167610604
9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159677648
1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene
CID 169303234
1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene
CID 123142819
1-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997
1-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 161348592
2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176632742
1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene
CID 59859301
1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 164706329
1-naphthalen-1-yl-6-[6-[6-(2-phenylphenyl)pyren-1-yl]pyren-1-yl]pyrene
CID 58908206
1-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene
CID 169303128

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene?
The IUPAC name of 1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene (CID 156656874) is 1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene.
What is the SMILES notation for 1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene?
The canonical SMILES for 1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene is c1ccc(-c2ccc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc34)cc2)cc1.
What is the InChIKey of 1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene?
The InChIKey is QNIPXDAWUOPXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24/c1-2-7-25(8-3-1)26-13-15-27(16-14-26)31-23-24-34(33-12-5-4-11-32(31)33)35-21-19-30-18-17-28-9-6-10-29-20-22-36(35)38(30)37(28)29/h1-24H.
What are the key properties of 1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene?
1-[4-(4-phenylphenyl)naphthalen-1-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 1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene is sourced from PubChem (CID 156656874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).