9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole

C38H30N4 — CID 58663536

IUPAC9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)n(-c3ccc(-n4c5c(c6cccnc64)CCCC5)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C38H30N4/c1-4-13-27(14-5-1)35-36(28-15-6-2-7-16-28)42(37(40-35)29-17-8-3-9-18-29)31-24-22-30(23-25-31)41-34-21-11-10-19-32(34)33-20-12-26-39-38(33)41/h1-9,12-18,20,22-26H,10-11,19,21H2
InChIKeyDIFFZBSQDJGVBY-UHFFFAOYSA-N
MW542.69 g/mol
LogP9.09
Rot. Bonds5

About 9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole

9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole (PubChem CID 58663536) has the molecular formula C38H30N4 and a molecular weight of 542.69 g/mol. Its IUPAC name is 9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole
PubChem CID58663536
Molecular FormulaC38H30N4
Molecular Weight542.69 g/mol
Exact Mass542.25
IUPAC Name9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)n(-c3ccc(-n4c5c(c6cccnc64)CCCC5)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C38H30N4/c1-4-13-27(14-5-1)35-36(28-15-6-2-7-16-28)42(37(40-35)29-17-8-3-9-18-29)31-24-22-30(23-25-31)41-34-21-11-10-19-32(34)33-20-12-26-39-38(33)41/h1-9,12-18,20,22-26H,10-11,19,21H2
InChIKeyDIFFZBSQDJGVBY-UHFFFAOYSA-N
XLogP9.09
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.69
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole 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

9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indole
CID 11172700
9-[3,5-bis(3,5-diphenylphenyl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole
CID 58663528
1-(4-bromophenyl)-2,4,5-triphenylimidazole
CID 71122850
1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
CID 19020129
2,4,5-triphenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]imidazole
CID 89292400
9-(4-phenylphenyl)-3,6-bis(1,4,5-triphenylimidazol-2-yl)carbazole
CID 141396920
1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
CID 4569077
9-[4-[3-(2,4,5-triphenylimidazol-1-yl)phenyl]phenyl]carbazole
CID 58827953
3-[4-[1,4-diphenyl-5-[4-(1,3,4,5-tetraphenylpyrrol-2-yl)phenyl]imidazol-2-yl]phenyl]-1,2-diphenylphenanthro[9,10-c]pyrrole
CID 152842671
1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole
CID 155174914
3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine
CID 23391355
2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole
CID 122207157

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole?
The IUPAC name of 9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole (CID 58663536) is 9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole.
What is the SMILES notation for 9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole?
The canonical SMILES for 9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole is c1ccc(-c2nc(-c3ccccc3)n(-c3ccc(-n4c5c(c6cccnc64)CCCC5)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of 9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole?
The InChIKey is DIFFZBSQDJGVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4/c1-4-13-27(14-5-1)35-36(28-15-6-2-7-16-28)42(37(40-35)29-17-8-3-9-18-29)31-24-22-30(23-25-31)41-34-21-11-10-19-32(34)33-20-12-26-39-38(33)41/h1-9,12-18,20,22-26H,10-11,19,21H2.
What are the key properties of 9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole?
9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole has a molecular weight of 542.69 g/mol, XLogP of 9.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole is sourced from PubChem (CID 58663536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).