2-[3-(7,8-dihydrobenzo[c]phenanthren-5-yl)phenyl]-1-phenylbenzimidazole

C37H26N2 — CID 67991408

IUPAC2-[3-(7,8-dihydrobenzo[c]phenanthren-5-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3cccc(-c4cc5c(c6ccccc46)-c4ccccc4CC5)c3)nc3ccccc32)cc1
InChIInChI=1S/C37H26N2/c1-2-14-29(15-3-1)39-35-20-9-8-19-34(35)38-37(39)28-13-10-12-26(23-28)33-24-27-22-21-25-11-4-5-16-30(25)36(27)32-18-7-6-17-31(32)33/h1-20,23-24H,21-22H2
InChIKeyUBMFUMSBZHQQMJ-UHFFFAOYSA-N
MW498.63 g/mol
LogP9.28
Rot. Bonds3

About 2-[3-(7,8-dihydrobenzo[c]phenanthren-5-yl)phenyl]-1-phenylbenzimidazole

2-[3-(7,8-dihydrobenzo[c]phenanthren-5-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 67991408) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 2-[3-(7,8-dihydrobenzo[c]phenanthren-5-yl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[3-(7,8-dihydrobenzo[c]phenanthren-5-yl)phenyl]-1-phenylbenzimidazole
PubChem CID67991408
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC Name2-[3-(7,8-dihydrobenzo[c]phenanthren-5-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3cccc(-c4cc5c(c6ccccc46)-c4ccccc4CC5)c3)nc3ccccc32)cc1
InChIInChI=1S/C37H26N2/c1-2-14-29(15-3-1)39-35-20-9-8-19-34(35)38-37(39)28-13-10-12-26(23-28)33-24-27-22-21-25-11-4-5-16-30(25)36(27)32-18-7-6-17-31(32)33/h1-20,23-24H,21-22H2
InChIKeyUBMFUMSBZHQQMJ-UHFFFAOYSA-N
XLogP9.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[3-(7,8-dihydrobenzo[c]phenanthren-5-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

1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole
CID 140942183
1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole
CID 90075826
9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118448479
2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976
1-phenyl-2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)benzimidazole
CID 137494336
2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole
CID 175392622
6-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 146976715
2-[4-methyl-3-[9-methyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 143688536
2-[3-[10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 169070976
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
1-phenyl-2-[10-[3-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]benzimidazole;1-phenyl-2-[10-[4-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]benzimidazole;1-phenyl-2-[4-[10-[3-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole;1-phenyl-2-[10-[3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole
CID 158895987
1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole
CID 20771522

Frequently Asked Questions

What is the IUPAC name of 2-[3-(7,8-dihydrobenzo[c]phenanthren-5-yl)phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[3-(7,8-dihydrobenzo[c]phenanthren-5-yl)phenyl]-1-phenylbenzimidazole (CID 67991408) is 2-[3-(7,8-dihydrobenzo[c]phenanthren-5-yl)phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[3-(7,8-dihydrobenzo[c]phenanthren-5-yl)phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[3-(7,8-dihydrobenzo[c]phenanthren-5-yl)phenyl]-1-phenylbenzimidazole is c1ccc(-n2c(-c3cccc(-c4cc5c(c6ccccc46)-c4ccccc4CC5)c3)nc3ccccc32)cc1.
What is the InChIKey of 2-[3-(7,8-dihydrobenzo[c]phenanthren-5-yl)phenyl]-1-phenylbenzimidazole?
The InChIKey is UBMFUMSBZHQQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2/c1-2-14-29(15-3-1)39-35-20-9-8-19-34(35)38-37(39)28-13-10-12-26(23-28)33-24-27-22-21-25-11-4-5-16-30(25)36(27)32-18-7-6-17-31(32)33/h1-20,23-24H,21-22H2.
What are the key properties of 2-[3-(7,8-dihydrobenzo[c]phenanthren-5-yl)phenyl]-1-phenylbenzimidazole?
2-[3-(7,8-dihydrobenzo[c]phenanthren-5-yl)phenyl]-1-phenylbenzimidazole has a molecular weight of 498.63 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7,8-dihydrobenzo[c]phenanthren-5-yl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 67991408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).