3-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline

C52H34N4 — CID 58068529

IUPAC3-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccc(-c4nnc5c6ccccc6ccn45)cc3)cc2)cc1
InChIInChI=1S/C52H34N4/c1-3-9-35(10-4-1)37-15-19-39(20-16-37)43-25-29-49-47(33-43)48-34-44(40-21-17-38(18-22-40)36-11-5-2-6-12-36)26-30-50(48)56(49)45-27-23-42(24-28-45)51-53-54-52-46-14-8-7-13-41(46)31-32-55(51)52/h1-34H
InChIKeyJWGYSWGBJDHMSR-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.31
Rot. Bonds6

About 3-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline

3-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline (PubChem CID 58068529) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 3-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline.

Molecular Properties

Compound Name3-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline
PubChem CID58068529
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name3-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccc(-c4nnc5c6ccccc6ccn45)cc3)cc2)cc1
InChIInChI=1S/C52H34N4/c1-3-9-35(10-4-1)37-15-19-39(20-16-37)43-25-29-49-47(33-43)48-34-44(40-21-17-38(18-22-40)36-11-5-2-6-12-36)26-30-50(48)56(49)45-27-23-42(24-28-45)51-53-54-52-46-14-8-7-13-41(46)31-32-55(51)52/h1-34H
InChIKeyJWGYSWGBJDHMSR-UHFFFAOYSA-N
XLogP13.31
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline 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

3-[4-(2-carbazol-9-ylphenyl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline
CID 58068546
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 118231168
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 161437197

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline?
The IUPAC name of 3-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline (CID 58068529) is 3-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline.
What is the SMILES notation for 3-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline?
The canonical SMILES for 3-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline is c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccc(-c4nnc5c6ccccc6ccn45)cc3)cc2)cc1.
What is the InChIKey of 3-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline?
The InChIKey is JWGYSWGBJDHMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-3-9-35(10-4-1)37-15-19-39(20-16-37)43-25-29-49-47(33-43)48-34-44(40-21-17-38(18-22-40)36-11-5-2-6-12-36)26-30-50(48)56(49)45-27-23-42(24-28-45)51-53-54-52-46-14-8-7-13-41(46)31-32-55(51)52/h1-34H.
What are the key properties of 3-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline?
3-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline has a molecular weight of 714.87 g/mol, XLogP of 13.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline is sourced from PubChem (CID 58068529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).