methyl 7-(4-chlorophenyl)-9-[(2-chlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate

C27H21Cl2NO3 — CID 22741387

IUPACmethyl 7-(4-chlorophenyl)-9-[(2-chlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c1c(n2Cc2ccccc2Cl)CC(c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C27H21Cl2NO3/c1-33-27(32)20-6-4-8-22-25(20)26-23(30(22)15-17-5-2-3-7-21(17)29)13-18(14-24(26)31)16-9-11-19(28)12-10-16/h2-12,18H,13-15H2,1H3
InChIKeyJHYYVUIBNMLAQC-UHFFFAOYSA-N
MW478.38 g/mol
LogP6.70
Rot. Bonds4

About methyl 7-(4-chlorophenyl)-9-[(2-chlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate

methyl 7-(4-chlorophenyl)-9-[(2-chlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate (PubChem CID 22741387) has the molecular formula C27H21Cl2NO3 and a molecular weight of 478.38 g/mol. Its IUPAC name is methyl 7-(4-chlorophenyl)-9-[(2-chlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-(4-chlorophenyl)-9-[(2-chlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate
PubChem CID22741387
Molecular FormulaC27H21Cl2NO3
Molecular Weight478.38 g/mol
Exact Mass477.09
IUPAC Namemethyl 7-(4-chlorophenyl)-9-[(2-chlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c1c(n2Cc2ccccc2Cl)CC(c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C27H21Cl2NO3/c1-33-27(32)20-6-4-8-22-25(20)26-23(30(22)15-17-5-2-3-7-21(17)29)13-18(14-24(26)31)16-9-11-19(28)12-10-16/h2-12,18H,13-15H2,1H3
InChIKeyJHYYVUIBNMLAQC-UHFFFAOYSA-N
XLogP6.70
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.38
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 7-(4-chlorophenyl)-9-[(2-chlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate with MolForge

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Related Compounds

methyl 9-benzyl-5-oxo-7-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-carbazole-4-carboxylate
CID 142637479
methyl 7-ethyl-5-oxo-9-[(2-phenoxyphenyl)methyl]-7,8-dihydro-6H-carbazole-4-carboxylate
CID 22738500
methyl 9-[(2-bromophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate
CID 22740051
methyl 9-[(2-cyanophenyl)methyl]-5-oxo-7-pentyl-7,8-dihydro-6H-carbazole-4-carboxylate
CID 22740022
methyl 9-(cyclopentylmethyl)-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate
CID 22738604
methyl 2-[(4-chloroindol-1-yl)methyl]benzoate
CID 82954358
methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858
methyl (6R)-6-(4-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 713643
methyl 5-oxo-7-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydrocarbazole-4-carboxylate
CID 22738597
methyl 5-hydroxy-9-[(2-phenylphenyl)methyl]carbazole-4-carboxylate
CID 22738163
methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate
CID 59086102
methyl (4S,7R)-4-(2-chlorophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1359789

Frequently Asked Questions

What is the IUPAC name of methyl 7-(4-chlorophenyl)-9-[(2-chlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate?
The IUPAC name of methyl 7-(4-chlorophenyl)-9-[(2-chlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate (CID 22741387) is methyl 7-(4-chlorophenyl)-9-[(2-chlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate.
What is the SMILES notation for methyl 7-(4-chlorophenyl)-9-[(2-chlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate?
The canonical SMILES for methyl 7-(4-chlorophenyl)-9-[(2-chlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate is COC(=O)c1cccc2c1c1c(n2Cc2ccccc2Cl)CC(c2ccc(Cl)cc2)CC1=O.
What is the InChIKey of methyl 7-(4-chlorophenyl)-9-[(2-chlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate?
The InChIKey is JHYYVUIBNMLAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21Cl2NO3/c1-33-27(32)20-6-4-8-22-25(20)26-23(30(22)15-17-5-2-3-7-21(17)29)13-18(14-24(26)31)16-9-11-19(28)12-10-16/h2-12,18H,13-15H2,1H3.
What are the key properties of methyl 7-(4-chlorophenyl)-9-[(2-chlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate?
methyl 7-(4-chlorophenyl)-9-[(2-chlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate has a molecular weight of 478.38 g/mol, XLogP of 6.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(4-chlorophenyl)-9-[(2-chlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate is sourced from PubChem (CID 22741387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).