dimethyl 2-phenyl-2,9-dihydro-1H-carbazole-3,4-dicarboxylate

C22H19NO4 — CID 15707402

IUPACdimethyl 2-phenyl-2,9-dihydro-1H-carbazole-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(c2ccccc2)Cc2[nH]c3ccccc3c21
InChIInChI=1S/C22H19NO4/c1-26-21(24)19-15(13-8-4-3-5-9-13)12-17-18(20(19)22(25)27-2)14-10-6-7-11-16(14)23-17/h3-11,15,23H,12H2,1-2H3
InChIKeyMILJWUXJSWGLES-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.61
Rot. Bonds3

About dimethyl 2-phenyl-2,9-dihydro-1H-carbazole-3,4-dicarboxylate

dimethyl 2-phenyl-2,9-dihydro-1H-carbazole-3,4-dicarboxylate (PubChem CID 15707402) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is dimethyl 2-phenyl-2,9-dihydro-1H-carbazole-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-phenyl-2,9-dihydro-1H-carbazole-3,4-dicarboxylate
PubChem CID15707402
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Namedimethyl 2-phenyl-2,9-dihydro-1H-carbazole-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(c2ccccc2)Cc2[nH]c3ccccc3c21
InChIInChI=1S/C22H19NO4/c1-26-21(24)19-15(13-8-4-3-5-9-13)12-17-18(20(19)22(25)27-2)14-10-6-7-11-16(14)23-17/h3-11,15,23H,12H2,1-2H3
InChIKeyMILJWUXJSWGLES-UHFFFAOYSA-N
XLogP3.61
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1,2,3,9-tetrahydrocarbazol-4-one
CID 4165022
dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 101203349
13-methoxycarbonyl-11,22-diazapentacyclo[13.7.0.04,12.05,10.016,21]docosa-1(15),2,4(12),5,7,9,13,16,18,20-decaene-2-carboxylic acid
CID 74052599
methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
CID 102568781
methyl (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;dihydrochloride
CID 156599856
1-(4-methoxycarbonylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid
CID 4264750
methyl (1R,3R)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 736463
methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate
CID 84581597
(1S,3S)-1-(4-methoxycarbonylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 6996466
methyl (1S,3S)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
CID 139246585
methyl 2-oxido-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate
CID 141093622
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-phenyl-2,9-dihydro-1H-carbazole-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-phenyl-2,9-dihydro-1H-carbazole-3,4-dicarboxylate (CID 15707402) is dimethyl 2-phenyl-2,9-dihydro-1H-carbazole-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-phenyl-2,9-dihydro-1H-carbazole-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-phenyl-2,9-dihydro-1H-carbazole-3,4-dicarboxylate is COC(=O)C1=C(C(=O)OC)C(c2ccccc2)Cc2[nH]c3ccccc3c21.
What is the InChIKey of dimethyl 2-phenyl-2,9-dihydro-1H-carbazole-3,4-dicarboxylate?
The InChIKey is MILJWUXJSWGLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-26-21(24)19-15(13-8-4-3-5-9-13)12-17-18(20(19)22(25)27-2)14-10-6-7-11-16(14)23-17/h3-11,15,23H,12H2,1-2H3.
What are the key properties of dimethyl 2-phenyl-2,9-dihydro-1H-carbazole-3,4-dicarboxylate?
dimethyl 2-phenyl-2,9-dihydro-1H-carbazole-3,4-dicarboxylate has a molecular weight of 361.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-phenyl-2,9-dihydro-1H-carbazole-3,4-dicarboxylate is sourced from PubChem (CID 15707402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).