4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-b]indole

C52H33N5 — CID 118232381

IUPAC4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-b]indole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c5c6ccccc6n(-c6ccccc6)c5n4)cc32)cc1
InChIInChI=1S/C52H33N5/c1-3-17-36(18-4-1)55-44-26-11-9-24-41(44)42-31-30-35(33-48(42)55)51-53-50(49-43-25-10-14-29-47(43)57(52(49)54-51)37-19-5-2-6-20-37)34-16-15-21-38(32-34)56-45-27-12-7-22-39(45)40-23-8-13-28-46(40)56/h1-33H
InChIKeyLPIBRCVMPBCNSO-UHFFFAOYSA-N
MW727.87 g/mol
LogP13.10
Rot. Bonds5

About 4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-b]indole

4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-b]indole (PubChem CID 118232381) has the molecular formula C52H33N5 and a molecular weight of 727.87 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-b]indole.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-b]indole
PubChem CID118232381
Molecular FormulaC52H33N5
Molecular Weight727.87 g/mol
Exact Mass727.27
IUPAC Name4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-b]indole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c5c6ccccc6n(-c6ccccc6)c5n4)cc32)cc1
InChIInChI=1S/C52H33N5/c1-3-17-36(18-4-1)55-44-26-11-9-24-41(44)42-31-30-35(33-48(42)55)51-53-50(49-43-25-10-14-29-47(43)57(52(49)54-51)37-19-5-2-6-20-37)34-16-15-21-38(32-34)56-45-27-12-7-22-39(45)40-23-8-13-28-46(40)56/h1-33H
InChIKeyLPIBRCVMPBCNSO-UHFFFAOYSA-N
XLogP13.10
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-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

2-[3-(3-carbazol-9-ylphenyl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole
CID 154010743
9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole
CID 118232378
2-(3-carbazol-9-ylphenyl)-9-phenyl-4-(9-phenylcarbazol-3-yl)pyrimido[4,5-b]indole;2-carbazol-9-yl-9-phenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[4,5-b]indole;2-carbazol-9-yl-9-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]pyrimido[4,5-b]indole
CID 159842963
2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole
CID 158253323
4,9-diphenyl-2-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]pyrimido[4,5-b]indole
CID 122628977
4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,9-diphenylpyrimido[4,5-b]indole
CID 122628951
4,9-diphenyl-2-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]pyrimido[4,5-b]indole
CID 122628960
9-[3-(4-phenylphenyl)phenyl]-2-[4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087271
10-[3-(4,9-diphenylpyrimido[4,5-b]indol-2-yl)phenyl]-7-phenylbenzo[c]carbazole;9-phenyl-4-(3-phenylphenyl)-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;7-phenyl-10-[3-[9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indol-2-yl]phenyl]benzo[c]carbazole
CID 159801398
2-phenyl-9-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170539117
2-(3-carbazol-9-ylphenyl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 145151686
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-3-(9-phenylcarbazol-2-yl)carbazole
CID 58511274

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-b]indole?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-b]indole (CID 118232381) is 4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-b]indole.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-b]indole?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-b]indole is c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c5c6ccccc6n(-c6ccccc6)c5n4)cc32)cc1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-b]indole?
The InChIKey is LPIBRCVMPBCNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5/c1-3-17-36(18-4-1)55-44-26-11-9-24-41(44)42-31-30-35(33-48(42)55)51-53-50(49-43-25-10-14-29-47(43)57(52(49)54-51)37-19-5-2-6-20-37)34-16-15-21-38(32-34)56-45-27-12-7-22-39(45)40-23-8-13-28-46(40)56/h1-33H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-b]indole?
4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-b]indole has a molecular weight of 727.87 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-b]indole is sourced from PubChem (CID 118232381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).