12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene

C46H30 — CID 140792268

IUPAC12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene
SMILESc1ccc(-c2ccc3c(-c4ccccc4)c4ccc5ccccc5c4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c3c2)cc1
InChIInChI=1S/C46H30/c1-3-11-31(12-4-1)39-26-27-41-43(30-39)45(36-22-19-33(20-23-36)38-24-21-32-13-7-8-17-37(32)29-38)46-40-18-10-9-14-34(40)25-28-42(46)44(41)35-15-5-2-6-16-35/h1-30H
InChIKeyDLFAVNQCSFNHSE-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene

12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene (PubChem CID 140792268) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene.

Molecular Properties

Compound Name12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene
PubChem CID140792268
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene
SMILESc1ccc(-c2ccc3c(-c4ccccc4)c4ccc5ccccc5c4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c3c2)cc1
InChIInChI=1S/C46H30/c1-3-11-31(12-4-1)39-26-27-41-43(30-39)45(36-22-19-33(20-23-36)38-24-21-32-13-7-8-17-37(32)29-38)46-40-18-10-9-14-34(40)25-28-42(46)44(41)35-15-5-2-6-16-35/h1-30H
InChIKeyDLFAVNQCSFNHSE-UHFFFAOYSA-N
XLogP12.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene 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

7-naphthalen-2-yl-12-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
CID 58535897
7-naphthalen-2-yl-12-[4-(3-naphthalen-2-ylphenyl)phenyl]benzo[a]anthracene
CID 58535903
9,10-bis(4-phenylphenyl)anthracene;10-naphthalen-2-yl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;10-naphthalen-1-yl-7,12-dinaphthalen-2-ylbenzo[a]anthracene;10-phenyl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;7,10,12-trinaphthalen-2-ylbenzo[a]anthracene
CID 160634464
7-(9,10-diphenylphenanthren-3-yl)-12-naphthalen-2-ylbenzo[a]anthracene
CID 59629514
3,7,10-triphenylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4(9),5,7,10,12,15,17,19,21-undecaene
CID 58453949
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
ethane;7-phenanthren-3-yl-14-(6-phenylnaphthalen-2-yl)naphtho[1,2-b]phenanthrene
CID 143847463

Frequently Asked Questions

What is the IUPAC name of 12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene?
The IUPAC name of 12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene (CID 140792268) is 12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene.
What is the SMILES notation for 12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene?
The canonical SMILES for 12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene is c1ccc(-c2ccc3c(-c4ccccc4)c4ccc5ccccc5c4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c3c2)cc1.
What is the InChIKey of 12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene?
The InChIKey is DLFAVNQCSFNHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-3-11-31(12-4-1)39-26-27-41-43(30-39)45(36-22-19-33(20-23-36)38-24-21-32-13-7-8-17-37(32)29-38)46-40-18-10-9-14-34(40)25-28-42(46)44(41)35-15-5-2-6-16-35/h1-30H.
What are the key properties of 12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene?
12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene has a molecular weight of 582.75 g/mol, XLogP of 12.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene is sourced from PubChem (CID 140792268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).