7-naphthalen-1-yl-12-(4-phenylphenyl)benzo[a]anthracene

C40H26 — CID 58535980

IUPAC7-naphthalen-1-yl-12-(4-phenylphenyl)benzo[a]anthracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C40H26/c1-2-11-27(12-3-1)28-21-23-31(24-22-28)38-35-18-8-9-19-36(35)39(34-20-10-15-29-13-4-6-16-32(29)34)37-26-25-30-14-5-7-17-33(30)40(37)38/h1-26H
InChIKeyUCUZOHJIJQCPRU-UHFFFAOYSA-N
MW506.65 g/mol
LogP11.30
Rot. Bonds3

About 7-naphthalen-1-yl-12-(4-phenylphenyl)benzo[a]anthracene

7-naphthalen-1-yl-12-(4-phenylphenyl)benzo[a]anthracene (PubChem CID 58535980) has the molecular formula C40H26 and a molecular weight of 506.65 g/mol. Its IUPAC name is 7-naphthalen-1-yl-12-(4-phenylphenyl)benzo[a]anthracene.

Molecular Properties

Compound Name7-naphthalen-1-yl-12-(4-phenylphenyl)benzo[a]anthracene
PubChem CID58535980
Molecular FormulaC40H26
Molecular Weight506.65 g/mol
Exact Mass506.20
IUPAC Name7-naphthalen-1-yl-12-(4-phenylphenyl)benzo[a]anthracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C40H26/c1-2-11-27(12-3-1)28-21-23-31(24-22-28)38-35-18-8-9-19-36(35)39(34-20-10-15-29-13-4-6-16-32(29)34)37-26-25-30-14-5-7-17-33(30)40(37)38/h1-26H
InChIKeyUCUZOHJIJQCPRU-UHFFFAOYSA-N
XLogP11.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 511.30
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 7-naphthalen-1-yl-12-(4-phenylphenyl)benzo[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

10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
CID 58322889
7-naphthalen-1-yl-12-(4-phenylnaphthalen-1-yl)benzo[a]anthracene
CID 154011898
10-naphthalen-1-yl-12-phenyl-7-(3-phenylphenyl)benzo[a]anthracene
CID 140792247
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-(3-naphthalen-1-ylphenyl)-12-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
CID 58535955
10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene
CID 58323114
9-naphthalen-1-yl-2,6-diphenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)-2,6-diphenylanthracene;1,5,9-trinaphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159156782
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene
CID 142721790
12-(12-phenylbenzo[a]anthracen-7-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 171046066

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-1-yl-12-(4-phenylphenyl)benzo[a]anthracene?
The IUPAC name of 7-naphthalen-1-yl-12-(4-phenylphenyl)benzo[a]anthracene (CID 58535980) is 7-naphthalen-1-yl-12-(4-phenylphenyl)benzo[a]anthracene.
What is the SMILES notation for 7-naphthalen-1-yl-12-(4-phenylphenyl)benzo[a]anthracene?
The canonical SMILES for 7-naphthalen-1-yl-12-(4-phenylphenyl)benzo[a]anthracene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccc5ccccc5c34)cc2)cc1.
What is the InChIKey of 7-naphthalen-1-yl-12-(4-phenylphenyl)benzo[a]anthracene?
The InChIKey is UCUZOHJIJQCPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26/c1-2-11-27(12-3-1)28-21-23-31(24-22-28)38-35-18-8-9-19-36(35)39(34-20-10-15-29-13-4-6-16-32(29)34)37-26-25-30-14-5-7-17-33(30)40(37)38/h1-26H.
What are the key properties of 7-naphthalen-1-yl-12-(4-phenylphenyl)benzo[a]anthracene?
7-naphthalen-1-yl-12-(4-phenylphenyl)benzo[a]anthracene has a molecular weight of 506.65 g/mol, XLogP of 11.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-1-yl-12-(4-phenylphenyl)benzo[a]anthracene is sourced from PubChem (CID 58535980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).