7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide

C26H17Cl2IN2O — CID 174414314

IUPAC7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3c(Cl)cccc3Cl)cc1n2Cc1cccc(I)c1
InChIInChI=1S/C26H17Cl2IN2O/c27-20-7-3-8-21(28)24(20)16-10-11-18-23(13-16)31(14-15-4-1-5-17(29)12-15)22-9-2-6-19(25(18)22)26(30)32/h1-13H,14H2,(H2,30,32)
InChIKeyNAWBKOJZJMTAAX-UHFFFAOYSA-N
MW571.25 g/mol
LogP7.52
Rot. Bonds4

About 7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide

7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide (PubChem CID 174414314) has the molecular formula C26H17Cl2IN2O and a molecular weight of 571.25 g/mol. Its IUPAC name is 7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide
PubChem CID174414314
Molecular FormulaC26H17Cl2IN2O
Molecular Weight571.25 g/mol
Exact Mass569.98
IUPAC Name7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3c(Cl)cccc3Cl)cc1n2Cc1cccc(I)c1
InChIInChI=1S/C26H17Cl2IN2O/c27-20-7-3-8-21(28)24(20)16-10-11-18-23(13-16)31(14-15-4-1-5-17(29)12-15)22-9-2-6-19(25(18)22)26(30)32/h1-13H,14H2,(H2,30,32)
InChIKeyNAWBKOJZJMTAAX-UHFFFAOYSA-N
XLogP7.52
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.25
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

9-[(3-cyanophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174414740
7-(2,6-dichlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174399747
7-(2,6-dichlorophenyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174440765
7-(2,6-dichlorophenyl)-9-[(3-ethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174417522
9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174414749
9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174401344
7-(hydroxymethyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide
CID 174417942
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985
7-(2,4-dichlorophenyl)-9-[(3-methylphenyl)methyl]carbazole-4-carboxamide
CID 175233520
9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174401014
9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414760
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide (CID 174414314) is 7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3c(Cl)cccc3Cl)cc1n2Cc1cccc(I)c1.
What is the InChIKey of 7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide?
The InChIKey is NAWBKOJZJMTAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2IN2O/c27-20-7-3-8-21(28)24(20)16-10-11-18-23(13-16)31(14-15-4-1-5-17(29)12-15)22-9-2-6-19(25(18)22)26(30)32/h1-13H,14H2,(H2,30,32).
What are the key properties of 7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide?
7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide has a molecular weight of 571.25 g/mol, XLogP of 7.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174414314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).