4-naphthalen-2-yl-1,6-diphenylpyrene

C38H24 — CID 167335387

IUPAC4-naphthalen-2-yl-1,6-diphenylpyrene
SMILESc1ccc(-c2ccc3ccc4c(-c5ccccc5)ccc5c(-c6ccc7ccccc7c6)cc2c3c45)cc1
InChIInChI=1S/C38H24/c1-3-10-26(11-4-1)31-21-22-34-35(30-16-15-25-9-7-8-14-29(25)23-30)24-36-32(27-12-5-2-6-13-27)19-17-28-18-20-33(31)38(34)37(28)36/h1-24H
InChIKeyICLPXSJVKWFNDM-UHFFFAOYSA-N
MW480.61 g/mol
LogP10.74
Rot. Bonds3

About 4-naphthalen-2-yl-1,6-diphenylpyrene

4-naphthalen-2-yl-1,6-diphenylpyrene (PubChem CID 167335387) has the molecular formula C38H24 and a molecular weight of 480.61 g/mol. Its IUPAC name is 4-naphthalen-2-yl-1,6-diphenylpyrene.

Molecular Properties

Compound Name4-naphthalen-2-yl-1,6-diphenylpyrene
PubChem CID167335387
Molecular FormulaC38H24
Molecular Weight480.61 g/mol
Exact Mass480.19
IUPAC Name4-naphthalen-2-yl-1,6-diphenylpyrene
SMILESc1ccc(-c2ccc3ccc4c(-c5ccccc5)ccc5c(-c6ccc7ccccc7c6)cc2c3c45)cc1
InChIInChI=1S/C38H24/c1-3-10-26(11-4-1)31-21-22-34-35(30-16-15-25-9-7-8-14-29(25)23-30)24-36-32(27-12-5-2-6-13-27)19-17-28-18-20-33(31)38(34)37(28)36/h1-24H
InChIKeyICLPXSJVKWFNDM-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

3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene
CID 123449510
1,3,6-tris(4-phenylphenyl)pyrene
CID 123689600
1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene
CID 158032644
1,6-bis(3-naphthalen-2-ylphenyl)-3,8-diphenylpyrene
CID 170778813
1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene
CID 59793090
1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(3-phenylphenyl)pyrene;1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(4-phenylphenyl)pyrene;1,6-dinaphthalen-2-yl-3,8-bis(4-phenylnaphthalen-1-yl)pyrene
CID 157103294
1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene;1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(4-phenylphenyl)pyrene;1,6-dinaphthalen-2-yl-3,8-bis(4-phenylnaphthalen-1-yl)pyrene
CID 159827500
1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene
CID 142727128
1,6-dinaphthalen-2-yl-4-phenylnaphthalene
CID 159069620
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
1,6-dinaphthalen-2-yl-3,8-bis(3-phenylphenyl)pyrene
CID 59391099

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-1,6-diphenylpyrene?
The IUPAC name of 4-naphthalen-2-yl-1,6-diphenylpyrene (CID 167335387) is 4-naphthalen-2-yl-1,6-diphenylpyrene.
What is the SMILES notation for 4-naphthalen-2-yl-1,6-diphenylpyrene?
The canonical SMILES for 4-naphthalen-2-yl-1,6-diphenylpyrene is c1ccc(-c2ccc3ccc4c(-c5ccccc5)ccc5c(-c6ccc7ccccc7c6)cc2c3c45)cc1.
What is the InChIKey of 4-naphthalen-2-yl-1,6-diphenylpyrene?
The InChIKey is ICLPXSJVKWFNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24/c1-3-10-26(11-4-1)31-21-22-34-35(30-16-15-25-9-7-8-14-29(25)23-30)24-36-32(27-12-5-2-6-13-27)19-17-28-18-20-33(31)38(34)37(28)36/h1-24H.
What are the key properties of 4-naphthalen-2-yl-1,6-diphenylpyrene?
4-naphthalen-2-yl-1,6-diphenylpyrene 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 4-naphthalen-2-yl-1,6-diphenylpyrene is sourced from PubChem (CID 167335387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).