7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide

C27H24N2OS — CID 174423912

IUPAC7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide
SMILESCc1cc(C)c(Cn2c3cc(-c4cccs4)ccc3c3c(C(N)=O)cccc32)c(C)c1
InChIInChI=1S/C27H24N2OS/c1-16-12-17(2)22(18(3)13-16)15-29-23-7-4-6-21(27(28)30)26(23)20-10-9-19(14-24(20)29)25-8-5-11-31-25/h4-14H,15H2,1-3H3,(H2,28,30)
InChIKeyLPXUXVLASSBTAP-UHFFFAOYSA-N
MW424.57 g/mol
LogP6.60
Rot. Bonds4

About 7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide

7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide (PubChem CID 174423912) has the molecular formula C27H24N2OS and a molecular weight of 424.57 g/mol. Its IUPAC name is 7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide
PubChem CID174423912
Molecular FormulaC27H24N2OS
Molecular Weight424.57 g/mol
Exact Mass424.16
IUPAC Name7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide
SMILESCc1cc(C)c(Cn2c3cc(-c4cccs4)ccc3c3c(C(N)=O)cccc32)c(C)c1
InChIInChI=1S/C27H24N2OS/c1-16-12-17(2)22(18(3)13-16)15-29-23-7-4-6-21(27(28)30)26(23)20-10-9-19(14-24(20)29)25-8-5-11-31-25/h4-14H,15H2,1-3H3,(H2,28,30)
InChIKeyLPXUXVLASSBTAP-UHFFFAOYSA-N
XLogP6.60
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide 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-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399417
7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide
CID 174414759
9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174414157
9-[(2-chloro-6-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174423994
9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399764
9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174418430
9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174400379
9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399494
9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 175235829
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
9-[(2,4-dimethylphenyl)methyl]carbazole-4-carboxamide
CID 174423911
7-(4-methoxyphenyl)-9-[(4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174401048

Frequently Asked Questions

What is the IUPAC name of 7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide (CID 174423912) is 7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide is Cc1cc(C)c(Cn2c3cc(-c4cccs4)ccc3c3c(C(N)=O)cccc32)c(C)c1.
What is the InChIKey of 7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide?
The InChIKey is LPXUXVLASSBTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2OS/c1-16-12-17(2)22(18(3)13-16)15-29-23-7-4-6-21(27(28)30)26(23)20-10-9-19(14-24(20)29)25-8-5-11-31-25/h4-14H,15H2,1-3H3,(H2,28,30).
What are the key properties of 7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide?
7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 6.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174423912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).