5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenyl-1H-benzimidazole

C45H30N2 — CID 136503273

IUPAC5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenyl-1H-benzimidazole
SMILESc1ccc(-c2nc3cc(-c4ccc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)cc4)ccc3[nH]2)cc1
InChIInChI=1S/C45H30N2/c1-4-12-32(13-5-1)43-37-18-10-11-19-38(37)44(33-14-6-2-7-15-33)40-28-35(24-26-39(40)43)30-20-22-31(23-21-30)36-25-27-41-42(29-36)47-45(46-41)34-16-8-3-9-17-34/h1-29H,(H,46,47)
InChIKeyPBFZTYNHEBMMNW-UHFFFAOYSA-N
MW598.75 g/mol
LogP12.20
Rot. Bonds5

About 5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenyl-1H-benzimidazole

5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenyl-1H-benzimidazole (PubChem CID 136503273) has the molecular formula C45H30N2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenyl-1H-benzimidazole
PubChem CID136503273
Molecular FormulaC45H30N2
Molecular Weight598.75 g/mol
Exact Mass598.24
IUPAC Name5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenyl-1H-benzimidazole
SMILESc1ccc(-c2nc3cc(-c4ccc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)cc4)ccc3[nH]2)cc1
InChIInChI=1S/C45H30N2/c1-4-12-32(13-5-1)43-37-18-10-11-19-38(37)44(33-14-6-2-7-15-33)40-28-35(24-26-39(40)43)30-20-22-31(23-21-30)36-25-27-41-42(29-36)47-45(46-41)34-16-8-3-9-17-34/h1-29H,(H,46,47)
InChIKeyPBFZTYNHEBMMNW-UHFFFAOYSA-N
XLogP12.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 512.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenyl-1H-benzimidazole 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

5-(9,10-diphenylanthracen-2-yl)-2-phenyl-1H-benzimidazole
CID 136612713
2-[6-(1H-benzimidazol-2-yl)-9-[4-(1H-benzimidazol-2-yl)phenyl]-10-naphthalen-2-ylanthracen-2-yl]-1H-benzimidazole
CID 90380784
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2-[3-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1H-benzimidazole;ethane;(Z)-pent-2-ene;prop-1-ene
CID 142263989
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
2-phenyl-1H-benzo[f]benzimidazole
CID 13074514
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-[10-(4-phenylphenyl)anthracen-9-yl]-5H-benzo[b]carbazole
CID 90433276
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692

Frequently Asked Questions

What is the IUPAC name of 5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenyl-1H-benzimidazole?
The IUPAC name of 5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenyl-1H-benzimidazole (CID 136503273) is 5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenyl-1H-benzimidazole.
What is the SMILES notation for 5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenyl-1H-benzimidazole?
The canonical SMILES for 5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenyl-1H-benzimidazole is c1ccc(-c2nc3cc(-c4ccc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)cc4)ccc3[nH]2)cc1.
What is the InChIKey of 5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenyl-1H-benzimidazole?
The InChIKey is PBFZTYNHEBMMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2/c1-4-12-32(13-5-1)43-37-18-10-11-19-38(37)44(33-14-6-2-7-15-33)40-28-35(24-26-39(40)43)30-20-22-31(23-21-30)36-25-27-41-42(29-36)47-45(46-41)34-16-8-3-9-17-34/h1-29H,(H,46,47).
What are the key properties of 5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenyl-1H-benzimidazole?
5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenyl-1H-benzimidazole has a molecular weight of 598.75 g/mol, XLogP of 12.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenyl-1H-benzimidazole is sourced from PubChem (CID 136503273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).