5-(9,10-diphenylanthracen-2-yl)-1-iodo-2-phenylbenzimidazole

C39H25IN2 — CID 89014121

IUPAC5-(9,10-diphenylanthracen-2-yl)-1-iodo-2-phenylbenzimidazole
SMILESIn1c(-c2ccccc2)nc2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)ccc21
InChIInChI=1S/C39H25IN2/c40-42-36-23-21-30(25-35(36)41-39(42)28-16-8-3-9-17-28)29-20-22-33-34(24-29)38(27-14-6-2-7-15-27)32-19-11-10-18-31(32)37(33)26-12-4-1-5-13-26/h1-25H
InChIKeyHHSDOBOFMZGOMQ-UHFFFAOYSA-N
MW648.55 g/mol
LogP11.21
Rot. Bonds4

About 5-(9,10-diphenylanthracen-2-yl)-1-iodo-2-phenylbenzimidazole

5-(9,10-diphenylanthracen-2-yl)-1-iodo-2-phenylbenzimidazole (PubChem CID 89014121) has the molecular formula C39H25IN2 and a molecular weight of 648.55 g/mol. Its IUPAC name is 5-(9,10-diphenylanthracen-2-yl)-1-iodo-2-phenylbenzimidazole.

Molecular Properties

Compound Name5-(9,10-diphenylanthracen-2-yl)-1-iodo-2-phenylbenzimidazole
PubChem CID89014121
Molecular FormulaC39H25IN2
Molecular Weight648.55 g/mol
Exact Mass648.11
IUPAC Name5-(9,10-diphenylanthracen-2-yl)-1-iodo-2-phenylbenzimidazole
SMILESIn1c(-c2ccccc2)nc2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)ccc21
InChIInChI=1S/C39H25IN2/c40-42-36-23-21-30(25-35(36)41-39(42)28-16-8-3-9-17-28)29-20-22-33-34(24-29)38(27-14-6-2-7-15-27)32-19-11-10-18-31(32)37(33)26-12-4-1-5-13-26/h1-25H
InChIKeyHHSDOBOFMZGOMQ-UHFFFAOYSA-N
XLogP11.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.55
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(9,10-diphenylanthracen-2-yl)-1-iodo-2-phenylbenzimidazole 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-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole
CID 58953640
1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole
CID 58953775
5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole
CID 58953715
5-[4-[6-[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 58953757
1-butyl-5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953743
5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole
CID 58953632
2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole
CID 58953669
5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole
CID 88598537
5-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole
CID 58953645
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
5-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-1,2-diphenylbenzimidazole
CID 130269142

Frequently Asked Questions

What is the IUPAC name of 5-(9,10-diphenylanthracen-2-yl)-1-iodo-2-phenylbenzimidazole?
The IUPAC name of 5-(9,10-diphenylanthracen-2-yl)-1-iodo-2-phenylbenzimidazole (CID 89014121) is 5-(9,10-diphenylanthracen-2-yl)-1-iodo-2-phenylbenzimidazole.
What is the SMILES notation for 5-(9,10-diphenylanthracen-2-yl)-1-iodo-2-phenylbenzimidazole?
The canonical SMILES for 5-(9,10-diphenylanthracen-2-yl)-1-iodo-2-phenylbenzimidazole is In1c(-c2ccccc2)nc2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)ccc21.
What is the InChIKey of 5-(9,10-diphenylanthracen-2-yl)-1-iodo-2-phenylbenzimidazole?
The InChIKey is HHSDOBOFMZGOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25IN2/c40-42-36-23-21-30(25-35(36)41-39(42)28-16-8-3-9-17-28)29-20-22-33-34(24-29)38(27-14-6-2-7-15-27)32-19-11-10-18-31(32)37(33)26-12-4-1-5-13-26/h1-25H.
What are the key properties of 5-(9,10-diphenylanthracen-2-yl)-1-iodo-2-phenylbenzimidazole?
5-(9,10-diphenylanthracen-2-yl)-1-iodo-2-phenylbenzimidazole has a molecular weight of 648.55 g/mol, XLogP of 11.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,10-diphenylanthracen-2-yl)-1-iodo-2-phenylbenzimidazole is sourced from PubChem (CID 89014121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).