9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene

C54H38 — CID 3380793

IUPAC9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C54H38/c1-5-17-41(18-6-1)51(42-19-7-2-8-20-42)37-39-29-33-45(34-30-39)53-47-25-13-15-27-49(47)54(50-28-16-14-26-48(50)53)46-35-31-40(32-36-46)38-52(43-21-9-3-10-22-43)44-23-11-4-12-24-44/h1-38H
InChIKeyBITWULPDIGXQDL-UHFFFAOYSA-N
MW686.90 g/mol
LogP14.50
Rot. Bonds8

About 9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene

9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene (PubChem CID 3380793) has the molecular formula C54H38 and a molecular weight of 686.90 g/mol. Its IUPAC name is 9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene.

Molecular Properties

Compound Name9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene
PubChem CID3380793
Molecular FormulaC54H38
Molecular Weight686.90 g/mol
Exact Mass686.30
IUPAC Name9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C54H38/c1-5-17-41(18-6-1)51(42-19-7-2-8-20-42)37-39-29-33-45(34-30-39)53-47-25-13-15-27-49(47)54(50-28-16-14-26-48(50)53)46-35-31-40(32-36-46)38-52(43-21-9-3-10-22-43)44-23-11-4-12-24-44/h1-38H
InChIKeyBITWULPDIGXQDL-UHFFFAOYSA-N
XLogP14.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.90
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9,10-bis[4-(2,2-diphenylethenyl)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

Frequently Asked Questions

What is the IUPAC name of 9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene?
The IUPAC name of 9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene (CID 3380793) is 9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene.
What is the SMILES notation for 9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene?
The canonical SMILES for 9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene is C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1.
What is the InChIKey of 9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene?
The InChIKey is BITWULPDIGXQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38/c1-5-17-41(18-6-1)51(42-19-7-2-8-20-42)37-39-29-33-45(34-30-39)53-47-25-13-15-27-49(47)54(50-28-16-14-26-48(50)53)46-35-31-40(32-36-46)38-52(43-21-9-3-10-22-43)44-23-11-4-12-24-44/h1-38H.
What are the key properties of 9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene?
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene has a molecular weight of 686.90 g/mol, XLogP of 14.50, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene is sourced from PubChem (CID 3380793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).