2-(1H-indol-5-yl)-5-[3-[2-(1H-indol-5-yl)-1-phenyl-2,3-dihydrobenzimidazol-5-yl]phenyl]-1-phenylbenzimidazole

C48H34N6 — CID 145202352

IUPAC2-(1H-indol-5-yl)-5-[3-[2-(1H-indol-5-yl)-1-phenyl-2,3-dihydrobenzimidazol-5-yl]phenyl]-1-phenylbenzimidazole
SMILESc1ccc(N2c3ccc(-c4cccc(-c5ccc6c(c5)nc(-c5ccc7[nH]ccc7c5)n6-c5ccccc5)c4)cc3NC2c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C48H34N6/c1-3-10-39(11-4-1)53-45-20-16-33(29-43(45)51-47(53)37-14-18-41-35(27-37)22-24-49-41)31-8-7-9-32(26-31)34-17-21-46-44(30-34)52-48(54(46)40-12-5-2-6-13-40)38-15-19-42-36(28-38)23-25-50-42/h1-30,47,49-51H
InChIKeyXKGIMJDVNMCLKA-UHFFFAOYSA-N
MW694.84 g/mol
LogP12.25
Rot. Bonds6

About 2-(1H-indol-5-yl)-5-[3-[2-(1H-indol-5-yl)-1-phenyl-2,3-dihydrobenzimidazol-5-yl]phenyl]-1-phenylbenzimidazole

2-(1H-indol-5-yl)-5-[3-[2-(1H-indol-5-yl)-1-phenyl-2,3-dihydrobenzimidazol-5-yl]phenyl]-1-phenylbenzimidazole (PubChem CID 145202352) has the molecular formula C48H34N6 and a molecular weight of 694.84 g/mol. Its IUPAC name is 2-(1H-indol-5-yl)-5-[3-[2-(1H-indol-5-yl)-1-phenyl-2,3-dihydrobenzimidazol-5-yl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-(1H-indol-5-yl)-5-[3-[2-(1H-indol-5-yl)-1-phenyl-2,3-dihydrobenzimidazol-5-yl]phenyl]-1-phenylbenzimidazole
PubChem CID145202352
Molecular FormulaC48H34N6
Molecular Weight694.84 g/mol
Exact Mass694.28
IUPAC Name2-(1H-indol-5-yl)-5-[3-[2-(1H-indol-5-yl)-1-phenyl-2,3-dihydrobenzimidazol-5-yl]phenyl]-1-phenylbenzimidazole
SMILESc1ccc(N2c3ccc(-c4cccc(-c5ccc6c(c5)nc(-c5ccc7[nH]ccc7c5)n6-c5ccccc5)c4)cc3NC2c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C48H34N6/c1-3-10-39(11-4-1)53-45-20-16-33(29-43(45)51-47(53)37-14-18-41-35(27-37)22-24-49-41)31-8-7-9-32(26-31)34-17-21-46-44(30-34)52-48(54(46)40-12-5-2-6-13-40)38-15-19-42-36(28-38)23-25-50-42/h1-30,47,49-51H
InChIKeyXKGIMJDVNMCLKA-UHFFFAOYSA-N
XLogP12.25
TPSA64.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.84
LogP ≤ 512.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(1H-indol-5-yl)-5-[3-[2-(1H-indol-5-yl)-1-phenyl-2,3-dihydrobenzimidazol-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-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]benzimidazole
CID 70920417
3-phenyl-2-(3-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydrobenzimidazole
CID 89222158
4-phenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-[4-[3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]aniline
CID 122424894
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-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole
CID 59010697
5-(3-bromophenyl)-1,2-diphenylbenzimidazole
CID 122424996
5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole
CID 88598537
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
2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976
2-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 169071913
5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole
CID 143743337
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

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-yl)-5-[3-[2-(1H-indol-5-yl)-1-phenyl-2,3-dihydrobenzimidazol-5-yl]phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-(1H-indol-5-yl)-5-[3-[2-(1H-indol-5-yl)-1-phenyl-2,3-dihydrobenzimidazol-5-yl]phenyl]-1-phenylbenzimidazole (CID 145202352) is 2-(1H-indol-5-yl)-5-[3-[2-(1H-indol-5-yl)-1-phenyl-2,3-dihydrobenzimidazol-5-yl]phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-(1H-indol-5-yl)-5-[3-[2-(1H-indol-5-yl)-1-phenyl-2,3-dihydrobenzimidazol-5-yl]phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-(1H-indol-5-yl)-5-[3-[2-(1H-indol-5-yl)-1-phenyl-2,3-dihydrobenzimidazol-5-yl]phenyl]-1-phenylbenzimidazole is c1ccc(N2c3ccc(-c4cccc(-c5ccc6c(c5)nc(-c5ccc7[nH]ccc7c5)n6-c5ccccc5)c4)cc3NC2c2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 2-(1H-indol-5-yl)-5-[3-[2-(1H-indol-5-yl)-1-phenyl-2,3-dihydrobenzimidazol-5-yl]phenyl]-1-phenylbenzimidazole?
The InChIKey is XKGIMJDVNMCLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N6/c1-3-10-39(11-4-1)53-45-20-16-33(29-43(45)51-47(53)37-14-18-41-35(27-37)22-24-49-41)31-8-7-9-32(26-31)34-17-21-46-44(30-34)52-48(54(46)40-12-5-2-6-13-40)38-15-19-42-36(28-38)23-25-50-42/h1-30,47,49-51H.
What are the key properties of 2-(1H-indol-5-yl)-5-[3-[2-(1H-indol-5-yl)-1-phenyl-2,3-dihydrobenzimidazol-5-yl]phenyl]-1-phenylbenzimidazole?
2-(1H-indol-5-yl)-5-[3-[2-(1H-indol-5-yl)-1-phenyl-2,3-dihydrobenzimidazol-5-yl]phenyl]-1-phenylbenzimidazole has a molecular weight of 694.84 g/mol, XLogP of 12.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yl)-5-[3-[2-(1H-indol-5-yl)-1-phenyl-2,3-dihydrobenzimidazol-5-yl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 145202352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).