2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole

C45H30N2 — CID 175392622

IUPAC2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-c2cccc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)cc1
InChIInChI=1S/C45H30N2/c1-4-13-32(14-5-1)37-19-12-20-38-39(37)27-28-40-41(33-15-6-2-7-16-33)29-35(30-42(38)40)31-23-25-34(26-24-31)45-46-43-21-10-11-22-44(43)47(45)36-17-8-3-9-18-36/h1-30H
InChIKeyQWBVNGJVPJTPJM-UHFFFAOYSA-N
MW598.75 g/mol
LogP12.00
Rot. Bonds5

About 2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole

2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 175392622) has the molecular formula C45H30N2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole
PubChem CID175392622
Molecular FormulaC45H30N2
Molecular Weight598.75 g/mol
Exact Mass598.24
IUPAC Name2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-c2cccc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)cc1
InChIInChI=1S/C45H30N2/c1-4-13-32(14-5-1)37-19-12-20-38-39(37)27-28-40-41(33-15-6-2-7-16-33)29-35(30-42(38)40)31-23-25-34(26-24-31)45-46-43-21-10-11-22-44(43)47(45)36-17-8-3-9-18-36/h1-30H
InChIKeyQWBVNGJVPJTPJM-UHFFFAOYSA-N
XLogP12.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-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

2-(4-benzo[a]anthracen-4-ylphenyl)-1-phenylbenzimidazole
CID 59412563
1-[4-[4-(5-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)naphthalen-1-yl]phenyl]-2-phenylbenzimidazole
CID 167411018
2-[4-(5-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)phenyl]-1-phenylbenzimidazole
CID 167410699
1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole
CID 20771522
2-[4-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]phenyl]-1-phenylbenzimidazole
CID 167412067
1-[3-(6,12-dinaphthalen-1-ylchrysen-2-yl)phenyl]-2-phenylbenzimidazole
CID 89280025
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole
CID 140942183
1-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 171812770
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
1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole
CID 58106321
1-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953721

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole (CID 175392622) is 2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole is c1ccc(-c2cccc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)cc1.
What is the InChIKey of 2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole?
The InChIKey is QWBVNGJVPJTPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2/c1-4-13-32(14-5-1)37-19-12-20-38-39(37)27-28-40-41(33-15-6-2-7-16-33)29-35(30-42(38)40)31-23-25-34(26-24-31)45-46-43-21-10-11-22-44(43)47(45)36-17-8-3-9-18-36/h1-30H.
What are the key properties of 2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole?
2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole has a molecular weight of 598.75 g/mol, XLogP of 12.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 175392622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).