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

C27H17Cl2N3O — CID 174414740

IUPAC9-[(3-cyanophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
SMILESN#Cc1cccc(Cn2c3cc(-c4c(Cl)cccc4Cl)ccc3c3c(C(N)=O)cccc32)c1
InChIInChI=1S/C27H17Cl2N3O/c28-21-7-3-8-22(29)25(21)18-10-11-19-24(13-18)32(15-17-5-1-4-16(12-17)14-30)23-9-2-6-20(26(19)23)27(31)33/h1-13H,15H2,(H2,31,33)
InChIKeyFNFDNGRCKKHLEK-UHFFFAOYSA-N
MW470.36 g/mol
LogP6.79
Rot. Bonds4

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

9-[(3-cyanophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide (PubChem CID 174414740) has the molecular formula C27H17Cl2N3O and a molecular weight of 470.36 g/mol. Its IUPAC name is 9-[(3-cyanophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3-cyanophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
PubChem CID174414740
Molecular FormulaC27H17Cl2N3O
Molecular Weight470.36 g/mol
Exact Mass469.07
IUPAC Name9-[(3-cyanophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
SMILESN#Cc1cccc(Cn2c3cc(-c4c(Cl)cccc4Cl)ccc3c3c(C(N)=O)cccc32)c1
InChIInChI=1S/C27H17Cl2N3O/c28-21-7-3-8-22(29)25(21)18-10-11-19-24(13-18)32(15-17-5-1-4-16(12-17)14-30)23-9-2-6-20(26(19)23)27(31)33/h1-13H,15H2,(H2,31,33)
InChIKeyFNFDNGRCKKHLEK-UHFFFAOYSA-N
XLogP6.79
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.36
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(3-cyanophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(3-cyanophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide (CID 174414740) is 9-[(3-cyanophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(3-cyanophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(3-cyanophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide is N#Cc1cccc(Cn2c3cc(-c4c(Cl)cccc4Cl)ccc3c3c(C(N)=O)cccc32)c1.
What is the InChIKey of 9-[(3-cyanophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide?
The InChIKey is FNFDNGRCKKHLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17Cl2N3O/c28-21-7-3-8-22(29)25(21)18-10-11-19-24(13-18)32(15-17-5-1-4-16(12-17)14-30)23-9-2-6-20(26(19)23)27(31)33/h1-13H,15H2,(H2,31,33).
What are the key properties of 9-[(3-cyanophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide?
9-[(3-cyanophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide has a molecular weight of 470.36 g/mol, XLogP of 6.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-cyanophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide is sourced from PubChem (CID 174414740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).