7-(furan-2-yl)-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide

C29H22N2O2 — CID 174414734

IUPAC7-(furan-2-yl)-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide
SMILESCc1ccc2ccccc2c1Cn1c2cc(-c3ccco3)ccc2c2c(C(N)=O)cccc21
InChIInChI=1S/C29H22N2O2/c1-18-11-12-19-6-2-3-7-21(19)24(18)17-31-25-9-4-8-23(29(30)32)28(25)22-14-13-20(16-26(22)31)27-10-5-15-33-27/h2-16H,17H2,1H3,(H2,30,32)
InChIKeyXYMLPMFBIQDBLL-UHFFFAOYSA-N
MW430.51 g/mol
LogP6.66
Rot. Bonds4

About 7-(furan-2-yl)-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide

7-(furan-2-yl)-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide (PubChem CID 174414734) has the molecular formula C29H22N2O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 7-(furan-2-yl)-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-(furan-2-yl)-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide
PubChem CID174414734
Molecular FormulaC29H22N2O2
Molecular Weight430.51 g/mol
Exact Mass430.17
IUPAC Name7-(furan-2-yl)-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide
SMILESCc1ccc2ccccc2c1Cn1c2cc(-c3ccco3)ccc2c2c(C(N)=O)cccc21
InChIInChI=1S/C29H22N2O2/c1-18-11-12-19-6-2-3-7-21(19)24(18)17-31-25-9-4-8-23(29(30)32)28(25)22-14-13-20(16-26(22)31)27-10-5-15-33-27/h2-16H,17H2,1H3,(H2,30,32)
InChIKeyXYMLPMFBIQDBLL-UHFFFAOYSA-N
XLogP6.66
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(2,6-dichlorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174440701
9-[(3-chloro-4-methylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174418424
7-(furan-2-yl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174414539
9-[(4-carbamoylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174414282
9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174399458
9-[(4-bromo-2-fluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174414316
6-fluoro-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide
CID 174423897
9-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174399783
2-[9-benzyl-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]-2-oxoacetic acid
CID 54308159
9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 175233547
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 175235829

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide?
The IUPAC name of 7-(furan-2-yl)-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide (CID 174414734) is 7-(furan-2-yl)-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-(furan-2-yl)-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-(furan-2-yl)-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide is Cc1ccc2ccccc2c1Cn1c2cc(-c3ccco3)ccc2c2c(C(N)=O)cccc21.
What is the InChIKey of 7-(furan-2-yl)-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide?
The InChIKey is XYMLPMFBIQDBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O2/c1-18-11-12-19-6-2-3-7-21(19)24(18)17-31-25-9-4-8-23(29(30)32)28(25)22-14-13-20(16-26(22)31)27-10-5-15-33-27/h2-16H,17H2,1H3,(H2,30,32).
What are the key properties of 7-(furan-2-yl)-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide?
7-(furan-2-yl)-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 6.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174414734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).