1-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene

C54H32 — CID 169303011

IUPAC1-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc4c3)c(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc1
InChIInChI=1S/C54H32/c1-2-8-33(9-3-1)40-24-25-44(49(31-40)45-26-20-38-18-16-34-11-6-13-36-22-28-47(45)53(38)51(34)36)42-30-41-10-4-5-15-43(41)50(32-42)46-27-21-39-19-17-35-12-7-14-37-23-29-48(46)54(39)52(35)37/h1-32H
InChIKeyPBVJRLIUQQTKGC-UHFFFAOYSA-N
MW680.85 g/mol
LogP15.30
Rot. Bonds4

About 1-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene

1-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene (PubChem CID 169303011) has the molecular formula C54H32 and a molecular weight of 680.85 g/mol. Its IUPAC name is 1-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene.

Molecular Properties

Compound Name1-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene
PubChem CID169303011
Molecular FormulaC54H32
Molecular Weight680.85 g/mol
Exact Mass680.25
IUPAC Name1-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc4c3)c(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc1
InChIInChI=1S/C54H32/c1-2-8-33(9-3-1)40-24-25-44(49(31-40)45-26-20-38-18-16-34-11-6-13-36-22-28-47(45)53(38)51(34)36)42-30-41-10-4-5-15-43(41)50(32-42)46-27-21-39-19-17-35-12-7-14-37-23-29-48(46)54(39)52(35)37/h1-32H
InChIKeyPBVJRLIUQQTKGC-UHFFFAOYSA-N
XLogP15.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.85
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]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-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene
CID 169303128
1-[3-[8-(2-phenylphenyl)-4-pyren-1-ylnaphthalen-2-yl]naphthalen-1-yl]pyrene
CID 169303179
1-[3-(4-phenyl-2-pyren-1-ylnaphthalen-1-yl)naphthalen-1-yl]pyrene
CID 169303156
1-(2-phenyl-5-pyren-1-ylphenyl)pyrene
CID 156656853
1,6-bis(2,5-diphenylphenyl)-3-(4-phenylphenyl)pyrene
CID 140589968
1-[2-(4-phenyl-3-pyren-1-ylphenyl)phenyl]pyrene
CID 169303152
1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
1-(3-naphthalen-2-ylphenyl)-6-[3-[3-[3-(6-phenylpyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-(3-naphthalen-2-ylphenyl)-6-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)-6-[4-[3-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[2-[2-(3-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[4-[2-[2-(4-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159994110
1-[2-(2-naphthalen-1-yl-5-pyren-1-ylphenyl)phenyl]pyrene
CID 169303134
1-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997
1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene
CID 123142819
1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene
CID 169303234

Frequently Asked Questions

What is the IUPAC name of 1-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene?
The IUPAC name of 1-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene (CID 169303011) is 1-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene.
What is the SMILES notation for 1-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene?
The canonical SMILES for 1-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene is c1ccc(-c2ccc(-c3cc(-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc4c3)c(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc1.
What is the InChIKey of 1-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene?
The InChIKey is PBVJRLIUQQTKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32/c1-2-8-33(9-3-1)40-24-25-44(49(31-40)45-26-20-38-18-16-34-11-6-13-36-22-28-47(45)53(38)51(34)36)42-30-41-10-4-5-15-43(41)50(32-42)46-27-21-39-19-17-35-12-7-14-37-23-29-48(46)54(39)52(35)37/h1-32H.
What are the key properties of 1-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene?
1-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene has a molecular weight of 680.85 g/mol, XLogP of 15.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene is sourced from PubChem (CID 169303011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).