9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole

C42H27N7 — CID 58500998

IUPAC9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole
SMILESc1ccc(-n2c(-c3ccnc(-n4c5ccccc5c5ccccc54)c3)nnc2-c2ccnc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C42H27N7/c1-2-12-30(13-3-1)47-41(28-22-24-43-39(26-28)48-35-18-8-4-14-31(35)32-15-5-9-19-36(32)48)45-46-42(47)29-23-25-44-40(27-29)49-37-20-10-6-16-33(37)34-17-7-11-21-38(34)49/h1-27H
InChIKeyYPVHXCNEQKOBTE-UHFFFAOYSA-N
MW629.73 g/mol
LogP9.59
Rot. Bonds5

About 9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole

9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole (PubChem CID 58500998) has the molecular formula C42H27N7 and a molecular weight of 629.73 g/mol. Its IUPAC name is 9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole.

Molecular Properties

Compound Name9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole
PubChem CID58500998
Molecular FormulaC42H27N7
Molecular Weight629.73 g/mol
Exact Mass629.23
IUPAC Name9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole
SMILESc1ccc(-n2c(-c3ccnc(-n4c5ccccc5c5ccccc54)c3)nnc2-c2ccnc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C42H27N7/c1-2-12-30(13-3-1)47-41(28-22-24-43-39(26-28)48-35-18-8-4-14-31(35)32-15-5-9-19-36(32)48)45-46-42(47)29-23-25-44-40(27-29)49-37-20-10-6-16-33(37)34-17-7-11-21-38(34)49/h1-27H
InChIKeyYPVHXCNEQKOBTE-UHFFFAOYSA-N
XLogP9.59
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.73
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole 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-[6-[5-[2-(1,2-dihydrocarbazol-9-yl)-4-pyridinyl]-4-phenyl-1,2,4-triazol-3-yl]-4-methyl-2-pyridinyl]carbazole
CID 70669820
9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59844937
9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole
CID 59845044
9-[4-(2-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]-3-ethenyl-6-methylcarbazole
CID 121245502
9-[2-carbazol-9-yl-6-[5-(3,5-diphenylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-4-pyridinyl]carbazole
CID 58500961
3-[5-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diphenylaniline
CID 58500962
9-[5-[5-(6-carbazol-9-yl-3-pyridinyl)-4-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole
CID 58500956
9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 134554853
9-(4,6-diphenyl-2-pyridinyl)-3-[5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-4-yl]-4-phenyl-1,2,4-triazol-3-yl]carbazole
CID 122594049
14-[4-(9-phenylcarbazol-3-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 70808516
9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole
CID 59845028
9-phenyl-3-[4-phenyl-5-(9-phenylcarbazol-4-yl)-1,2,4-triazol-3-yl]carbazole
CID 122594038

Frequently Asked Questions

What is the IUPAC name of 9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole?
The IUPAC name of 9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole (CID 58500998) is 9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole.
What is the SMILES notation for 9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole?
The canonical SMILES for 9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole is c1ccc(-n2c(-c3ccnc(-n4c5ccccc5c5ccccc54)c3)nnc2-c2ccnc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole?
The InChIKey is YPVHXCNEQKOBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N7/c1-2-12-30(13-3-1)47-41(28-22-24-43-39(26-28)48-35-18-8-4-14-31(35)32-15-5-9-19-36(32)48)45-46-42(47)29-23-25-44-40(27-29)49-37-20-10-6-16-33(37)34-17-7-11-21-38(34)49/h1-27H.
What are the key properties of 9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole?
9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole has a molecular weight of 629.73 g/mol, XLogP of 9.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole is sourced from PubChem (CID 58500998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).