6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]carbazole

C34H22N4S — CID 135264413

IUPAC6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]carbazole
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-n3c4ccccc4c4c5sccc5ccc43)cc2)cc1
InChIInChI=1S/C34H22N4S/c1-3-9-24(10-4-1)33-35-36-34(25-11-5-2-6-12-25)38(33)27-18-16-26(17-19-27)37-29-14-8-7-13-28(29)31-30(37)20-15-23-21-22-39-32(23)31/h1-22H
InChIKeyLCJXLNXCXRXYGD-UHFFFAOYSA-N
MW518.65 g/mol
LogP8.91
Rot. Bonds4

About 6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]carbazole

6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]carbazole (PubChem CID 135264413) has the molecular formula C34H22N4S and a molecular weight of 518.65 g/mol. Its IUPAC name is 6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]carbazole.

Molecular Properties

Compound Name6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]carbazole
PubChem CID135264413
Molecular FormulaC34H22N4S
Molecular Weight518.65 g/mol
Exact Mass518.16
IUPAC Name6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]carbazole
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-n3c4ccccc4c4c5sccc5ccc43)cc2)cc1
InChIInChI=1S/C34H22N4S/c1-3-9-24(10-4-1)33-35-36-34(25-11-5-2-6-12-25)38(33)27-18-16-26(17-19-27)37-29-14-8-7-13-28(29)31-30(37)20-15-23-21-22-39-32(23)31/h1-22H
InChIKeyLCJXLNXCXRXYGD-UHFFFAOYSA-N
XLogP8.91
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.65
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]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

6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole
CID 118227962
6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole
CID 123633053
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole
CID 118228677
9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59844937
6-(6-pyridin-2-yl-3-pyridinyl)thieno[3,2-c]carbazole
CID 123165262
6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole
CID 118229376
6-[3-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole
CID 118229434
6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole
CID 118229357
5-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 146227213
23-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-9,19-diphenyl-9,19,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene
CID 90267121
9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole
CID 59845028
5-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 146226846

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]carbazole?
The IUPAC name of 6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]carbazole (CID 135264413) is 6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]carbazole.
What is the SMILES notation for 6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]carbazole?
The canonical SMILES for 6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]carbazole is c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-n3c4ccccc4c4c5sccc5ccc43)cc2)cc1.
What is the InChIKey of 6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]carbazole?
The InChIKey is LCJXLNXCXRXYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4S/c1-3-9-24(10-4-1)33-35-36-34(25-11-5-2-6-12-25)38(33)27-18-16-26(17-19-27)37-29-14-8-7-13-28(29)31-30(37)20-15-23-21-22-39-32(23)31/h1-22H.
What are the key properties of 6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]carbazole?
6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]carbazole has a molecular weight of 518.65 g/mol, XLogP of 8.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]carbazole is sourced from PubChem (CID 135264413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).