2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene

C52H32 — CID 123747688

IUPAC2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene
SMILESc1ccc2cc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)ccc2c1
InChIInChI=1S/C52H32/c1-2-12-34-27-35(22-21-33(34)11-1)38-28-39(36-23-25-49-45-17-5-3-13-41(45)43-15-7-9-19-47(43)51(49)31-36)30-40(29-38)37-24-26-50-46-18-6-4-14-42(46)44-16-8-10-20-48(44)52(50)32-37/h1-32H
InChIKeyNGFNSJWEJMRJIE-UHFFFAOYSA-N
MW656.83 g/mol
LogP14.76
Rot. Bonds3

About 2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene

2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene (PubChem CID 123747688) has the molecular formula C52H32 and a molecular weight of 656.83 g/mol. Its IUPAC name is 2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene.

Molecular Properties

Compound Name2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene
PubChem CID123747688
Molecular FormulaC52H32
Molecular Weight656.83 g/mol
Exact Mass656.25
IUPAC Name2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene
SMILESc1ccc2cc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)ccc2c1
InChIInChI=1S/C52H32/c1-2-12-34-27-35(22-21-33(34)11-1)38-28-39(36-23-25-49-45-17-5-3-13-41(45)43-15-7-9-19-47(43)51(49)31-36)30-40(29-38)37-24-26-50-46-18-6-4-14-42(46)44-16-8-10-20-48(44)52(50)32-37/h1-32H
InChIKeyNGFNSJWEJMRJIE-UHFFFAOYSA-N
XLogP14.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.83
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene 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

2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
2,7-di(phenanthren-2-yl)triphenylene
CID 58160997
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine
CID 130355484
2,4-diphenyl-6-(3-phenyl-5-triphenylen-2-ylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 159317711
2,7,9,10-tetranaphthalen-2-ylphenanthrene
CID 21136771
2-naphthalen-2-ylphenanthrene
CID 90738367
6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene
CID 59399025
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
2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene
CID 58511683
3-(6-naphthalen-2-ylnaphthalen-2-yl)-9-phenylchrysene
CID 123868192

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene?
The IUPAC name of 2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene (CID 123747688) is 2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene.
What is the SMILES notation for 2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene?
The canonical SMILES for 2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene is c1ccc2cc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)ccc2c1.
What is the InChIKey of 2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene?
The InChIKey is NGFNSJWEJMRJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32/c1-2-12-34-27-35(22-21-33(34)11-1)38-28-39(36-23-25-49-45-17-5-3-13-41(45)43-15-7-9-19-47(43)51(49)31-36)30-40(29-38)37-24-26-50-46-18-6-4-14-42(46)44-16-8-10-20-48(44)52(50)32-37/h1-32H.
What are the key properties of 2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene?
2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene has a molecular weight of 656.83 g/mol, XLogP of 14.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene is sourced from PubChem (CID 123747688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).