2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene

C52H34 — CID 59638737

IUPAC2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc5ccccc45)ccc3c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc23)cc1
InChIInChI=1S/C52H34/c1-3-16-37(17-4-1)51-49-33-40(39-22-11-23-41(32-39)45-26-12-20-35-14-7-9-24-43(35)45)28-30-47(49)48-31-29-42(34-50(48)52(51)38-18-5-2-6-19-38)46-27-13-21-36-15-8-10-25-44(36)46/h1-34H
InChIKeyZLAGZEZGCRFXTF-UHFFFAOYSA-N
MW658.84 g/mol
LogP14.63
Rot. Bonds5

About 2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene

2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene (PubChem CID 59638737) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene.

Molecular Properties

Compound Name2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene
PubChem CID59638737
Molecular FormulaC52H34
Molecular Weight658.84 g/mol
Exact Mass658.27
IUPAC Name2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc5ccccc45)ccc3c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc23)cc1
InChIInChI=1S/C52H34/c1-3-16-37(17-4-1)51-49-33-40(39-22-11-23-41(32-39)45-26-12-20-35-14-7-9-24-43(35)45)28-30-47(49)48-31-29-42(34-50(48)52(51)38-18-5-2-6-19-38)46-27-13-21-36-15-8-10-25-44(36)46/h1-34H
InChIKeyZLAGZEZGCRFXTF-UHFFFAOYSA-N
XLogP14.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.84
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene 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-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-phenylphenanthrene
CID 59638681
2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene
CID 58323119
2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583018
2-naphthalen-1-yl-9,10-bis(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 157235562
2-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)-9-phenylanthracene;2-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-9-phenylanthracene;2-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)-9-phenylanthracene;9-phenyl-10-[4-(3-phenylphenyl)phenyl]anthracene;9-phenyl-10-[4-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 158805732
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
N-[4-[3-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 89279787
4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169063324
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene
CID 58323308

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene?
The IUPAC name of 2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene (CID 59638737) is 2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene.
What is the SMILES notation for 2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene?
The canonical SMILES for 2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene is c1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc5ccccc45)ccc3c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc23)cc1.
What is the InChIKey of 2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene?
The InChIKey is ZLAGZEZGCRFXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34/c1-3-16-37(17-4-1)51-49-33-40(39-22-11-23-41(32-39)45-26-12-20-35-14-7-9-24-43(35)45)28-30-47(49)48-31-29-42(34-50(48)52(51)38-18-5-2-6-19-38)46-27-13-21-36-15-8-10-25-44(36)46/h1-34H.
What are the key properties of 2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene?
2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene has a molecular weight of 658.84 g/mol, XLogP of 14.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene is sourced from PubChem (CID 59638737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).