5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole

C51H33N5 — CID 129221830

IUPAC5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc5c5ncccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C51H33N5/c1-4-15-34(16-5-1)43-33-44(54-51(53-43)35-17-6-2-7-18-35)37-19-12-22-39(31-37)56-47-27-14-30-52-50(47)42-29-28-36(32-48(42)56)40-24-13-26-46-49(40)41-23-10-11-25-45(41)55(46)38-20-8-3-9-21-38/h1-33H
InChIKeyGIBSFTQAIRZUCD-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.73
Rot. Bonds6

About 5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole

5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole (PubChem CID 129221830) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole
PubChem CID129221830
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc5c5ncccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C51H33N5/c1-4-15-34(16-5-1)43-33-44(54-51(53-43)35-17-6-2-7-18-35)37-19-12-22-39(31-37)56-47-27-14-30-52-50(47)42-29-28-36(32-48(42)56)40-24-13-26-46-49(40)41-23-10-11-25-45(41)55(46)38-20-8-3-9-21-38/h1-33H
InChIKeyGIBSFTQAIRZUCD-UHFFFAOYSA-N
XLogP12.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[3,2-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

5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-b]indole
CID 118586979
5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole
CID 159364735
8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole
CID 129221860
5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587590
5-phenyl-9-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 118587992
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 121306271
6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 134590951
7-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;7-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;9-phenyl-7-[9-[3-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]carbazol-4-yl]pyrido[2,3-b]indole
CID 161116554
8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole;8-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-4-yl]-5-phenylpyrido[3,2-b]indole
CID 161498366
5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole
CID 129221822
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole
CID 118587050
2-(2-phenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 135143807

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole?
The IUPAC name of 5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole (CID 129221830) is 5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole.
What is the SMILES notation for 5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole?
The canonical SMILES for 5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole is c1ccc(-c2cc(-c3cccc(-n4c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc5c5ncccc54)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole?
The InChIKey is GIBSFTQAIRZUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-4-15-34(16-5-1)43-33-44(54-51(53-43)35-17-6-2-7-18-35)37-19-12-22-39(31-37)56-47-27-14-30-52-50(47)42-29-28-36(32-48(42)56)40-24-13-26-46-49(40)41-23-10-11-25-45(41)55(46)38-20-8-3-9-21-38/h1-33H.
What are the key properties of 5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole?
5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole has a molecular weight of 715.86 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole is sourced from PubChem (CID 129221830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).