9-phenyl-10-[4-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]anthracene

C38H28 — CID 141282251

IUPAC9-phenyl-10-[4-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]anthracene
SMILESC1=CC(c2ccccc2)C(c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)C=C1
InChIInChI=1S/C38H28/c1-3-13-27(14-4-1)31-17-7-8-18-32(31)28-23-25-30(26-24-28)38-35-21-11-9-19-33(35)37(29-15-5-2-6-16-29)34-20-10-12-22-36(34)38/h1-26,31-32H
InChIKeyJZQXYUWCLUBUHF-UHFFFAOYSA-N
MW484.64 g/mol
LogP10.32
Rot. Bonds4

About 9-phenyl-10-[4-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]anthracene

9-phenyl-10-[4-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]anthracene (PubChem CID 141282251) has the molecular formula C38H28 and a molecular weight of 484.64 g/mol. Its IUPAC name is 9-phenyl-10-[4-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]anthracene.

Molecular Properties

Compound Name9-phenyl-10-[4-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]anthracene
PubChem CID141282251
Molecular FormulaC38H28
Molecular Weight484.64 g/mol
Exact Mass484.22
IUPAC Name9-phenyl-10-[4-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]anthracene
SMILESC1=CC(c2ccccc2)C(c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)C=C1
InChIInChI=1S/C38H28/c1-3-13-27(14-4-1)31-17-7-8-18-32(31)28-23-25-30(26-24-28)38-35-21-11-9-19-33(35)37(29-15-5-2-6-16-29)34-20-10-12-22-36(34)38/h1-26,31-32H
InChIKeyJZQXYUWCLUBUHF-UHFFFAOYSA-N
XLogP10.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-phenyl-10-[4-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]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

methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
2-[3-[10-[4-(4a,8a-dihydronaphthalen-1-yl)phenyl]anthracen-9-yl]phenyl]triphenylene
CID 140717795
6-[10-[4-(4a,8a-dihydronaphthalen-1-yl)phenyl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163560899
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
CID 143321579
CID 143321579
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
9-iodo-10-phenylanthracene
CID 14958373
9-(9,10-diphenylanthracen-2-yl)-4a,11c-dihydronaphtho[2,1-b][1]benzofuran
CID 88995155
5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-10-[4-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]anthracene?
The IUPAC name of 9-phenyl-10-[4-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]anthracene (CID 141282251) is 9-phenyl-10-[4-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]anthracene.
What is the SMILES notation for 9-phenyl-10-[4-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]anthracene?
The canonical SMILES for 9-phenyl-10-[4-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]anthracene is C1=CC(c2ccccc2)C(c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)C=C1.
What is the InChIKey of 9-phenyl-10-[4-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]anthracene?
The InChIKey is JZQXYUWCLUBUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28/c1-3-13-27(14-4-1)31-17-7-8-18-32(31)28-23-25-30(26-24-28)38-35-21-11-9-19-33(35)37(29-15-5-2-6-16-29)34-20-10-12-22-36(34)38/h1-26,31-32H.
What are the key properties of 9-phenyl-10-[4-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]anthracene?
9-phenyl-10-[4-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]anthracene has a molecular weight of 484.64 g/mol, XLogP of 10.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-10-[4-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]anthracene is sourced from PubChem (CID 141282251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).