3-[4-(2-carbazol-9-ylphenyl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline

C34H22N4 — CID 58068546

IUPAC3-[4-(2-carbazol-9-ylphenyl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(-c3nnc4c5ccccc5ccn34)cc2)c1
InChIInChI=1S/C34H22N4/c1-2-11-27-23(9-1)21-22-37-33(35-36-34(27)37)25-19-17-24(18-20-25)26-10-3-6-14-30(26)38-31-15-7-4-12-28(31)29-13-5-8-16-32(29)38/h1-22H
InChIKeyUIQYAQSQAQYBBZ-UHFFFAOYSA-N
MW486.58 g/mol
LogP8.31
Rot. Bonds3

About 3-[4-(2-carbazol-9-ylphenyl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline

3-[4-(2-carbazol-9-ylphenyl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline (PubChem CID 58068546) has the molecular formula C34H22N4 and a molecular weight of 486.58 g/mol. Its IUPAC name is 3-[4-(2-carbazol-9-ylphenyl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline.

Molecular Properties

Compound Name3-[4-(2-carbazol-9-ylphenyl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline
PubChem CID58068546
Molecular FormulaC34H22N4
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC Name3-[4-(2-carbazol-9-ylphenyl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(-c3nnc4c5ccccc5ccn34)cc2)c1
InChIInChI=1S/C34H22N4/c1-2-11-27-23(9-1)21-22-37-33(35-36-34(27)37)25-19-17-24(18-20-25)26-10-3-6-14-30(26)38-31-15-7-4-12-28(31)29-13-5-8-16-32(29)38/h1-22H
InChIKeyUIQYAQSQAQYBBZ-UHFFFAOYSA-N
XLogP8.31
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-carbazol-9-ylnaphthalen-1-yl)-[1,2,4]triazolo[3,4-a]isoquinoline
CID 58068859
3-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline
CID 58068529
3-[4-(6-methyldibenzothiophen-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline
CID 58068966
3-[2-(2-iodophenyl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline
CID 58068952
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032295
3-(4-carbazol-9-ylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]isoquinoline
CID 58068479
3-(4-bromophenyl)-[1,2,4]triazolo[3,4-a]isoquinoline;dibenzothiophen-4-ylboronic acid;3-(4-dibenzothiophen-4-ylphenyl)-[1,2,4]triazolo[3,4-a]isoquinoline;methane
CID 162039158
9-[2-(4-phosphorosophenyl)phenyl]carbazole
CID 175902814
9-[2-[4-(4-chlorophenyl)phenyl]phenyl]carbazole
CID 142416174
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 162491110
3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline
CID 58068758
9-[2-[4-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 139303288

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-carbazol-9-ylphenyl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline?
The IUPAC name of 3-[4-(2-carbazol-9-ylphenyl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline (CID 58068546) is 3-[4-(2-carbazol-9-ylphenyl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline.
What is the SMILES notation for 3-[4-(2-carbazol-9-ylphenyl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline?
The canonical SMILES for 3-[4-(2-carbazol-9-ylphenyl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(-c3nnc4c5ccccc5ccn34)cc2)c1.
What is the InChIKey of 3-[4-(2-carbazol-9-ylphenyl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline?
The InChIKey is UIQYAQSQAQYBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4/c1-2-11-27-23(9-1)21-22-37-33(35-36-34(27)37)25-19-17-24(18-20-25)26-10-3-6-14-30(26)38-31-15-7-4-12-28(31)29-13-5-8-16-32(29)38/h1-22H.
What are the key properties of 3-[4-(2-carbazol-9-ylphenyl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline?
3-[4-(2-carbazol-9-ylphenyl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline has a molecular weight of 486.58 g/mol, XLogP of 8.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-carbazol-9-ylphenyl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline is sourced from PubChem (CID 58068546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).