1-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-2-phenylbenzimidazole

C58H38N2 — CID 167412810

IUPAC1-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-2-phenylbenzimidazole
SMILESCc1cccc2ccc3cccc(-c4cccc5ccc6cc(-c7ccc(-c8ccc(-n9c(-c%10ccccc%10)nc%10ccccc%109)c9ccccc89)cc7)ccc6c45)c3c12
InChIInChI=1S/C58H38N2/c1-37-12-9-15-40-28-29-42-17-11-21-51(57(42)55(37)40)50-20-10-16-41-30-31-45-36-44(32-33-47(45)56(41)50)38-24-26-39(27-25-38)46-34-35-53(49-19-6-5-18-48(46)49)60-54-23-8-7-22-52(54)59-58(60)43-13-3-2-4-14-43/h2-36H,1H3
InChIKeyAGAYBMJWEUNABG-UHFFFAOYSA-N
MW762.96 g/mol
LogP15.77
Rot. Bonds5

About 1-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-2-phenylbenzimidazole

1-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-2-phenylbenzimidazole (PubChem CID 167412810) has the molecular formula C58H38N2 and a molecular weight of 762.96 g/mol. Its IUPAC name is 1-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-2-phenylbenzimidazole
PubChem CID167412810
Molecular FormulaC58H38N2
Molecular Weight762.96 g/mol
Exact Mass762.30
IUPAC Name1-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-2-phenylbenzimidazole
SMILESCc1cccc2ccc3cccc(-c4cccc5ccc6cc(-c7ccc(-c8ccc(-n9c(-c%10ccccc%10)nc%10ccccc%109)c9ccccc89)cc7)ccc6c45)c3c12
InChIInChI=1S/C58H38N2/c1-37-12-9-15-40-28-29-42-17-11-21-51(57(42)55(37)40)50-20-10-16-41-30-31-45-36-44(32-33-47(45)56(41)50)38-24-26-39(27-25-38)46-34-35-53(49-19-6-5-18-48(46)49)60-54-23-8-7-22-52(54)59-58(60)43-13-3-2-4-14-43/h2-36H,1H3
InChIKeyAGAYBMJWEUNABG-UHFFFAOYSA-N
XLogP15.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.96
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-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

2-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-1-phenylbenzimidazole
CID 167412155
2-methyl-1-[4-[6-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]naphthalen-2-yl]phenyl]benzimidazole
CID 167411349
3-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-6-phenylpyridazine
CID 167410398
1-ethyl-5-[4-[6-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]naphthalen-2-yl]phenyl]-2-phenylbenzimidazole
CID 167412667
2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole
CID 148846094
5-fluoranthen-3-yl-1,2-diphenylbenzimidazole;5-fluoranthen-3-yl-1-methyl-2-phenylbenzimidazole;1-fluoranthen-3-yl-2-phenylbenzimidazole;2-fluoranthen-3-yl-1-phenylbenzimidazole;5-(3-fluoranthen-3-ylphenyl)-1-methyl-2-phenylbenzimidazole;5-(4-fluoranthen-3-ylphenyl)-1-methyl-2-phenylbenzimidazole
CID 161340662
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-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzimidazole
CID 155333469
2-ethyl-1-[4-(2-phenyl-10-pyren-2-ylanthracen-9-yl)naphthalen-1-yl]benzimidazole
CID 166043026
2-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]naphthalen-1-yl]phenyl]pyridine
CID 167412782
1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole
CID 118055725
2-(4-benzo[a]anthracen-4-ylphenyl)-1-phenylbenzimidazole
CID 59412563

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-2-phenylbenzimidazole?
The IUPAC name of 1-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-2-phenylbenzimidazole (CID 167412810) is 1-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-2-phenylbenzimidazole is Cc1cccc2ccc3cccc(-c4cccc5ccc6cc(-c7ccc(-c8ccc(-n9c(-c%10ccccc%10)nc%10ccccc%109)c9ccccc89)cc7)ccc6c45)c3c12.
What is the InChIKey of 1-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-2-phenylbenzimidazole?
The InChIKey is AGAYBMJWEUNABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2/c1-37-12-9-15-40-28-29-42-17-11-21-51(57(42)55(37)40)50-20-10-16-41-30-31-45-36-44(32-33-47(45)56(41)50)38-24-26-39(27-25-38)46-34-35-53(49-19-6-5-18-48(46)49)60-54-23-8-7-22-52(54)59-58(60)43-13-3-2-4-14-43/h2-36H,1H3.
What are the key properties of 1-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-2-phenylbenzimidazole?
1-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-2-phenylbenzimidazole has a molecular weight of 762.96 g/mol, XLogP of 15.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-2-phenylbenzimidazole is sourced from PubChem (CID 167412810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).