methyl 3,5-diphenyl-1H-indole-2-carboxylate

C22H17NO2 — CID 135386958

IUPACmethyl 3,5-diphenyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(-c3ccccc3)cc2c1-c1ccccc1
InChIInChI=1S/C22H17NO2/c1-25-22(24)21-20(16-10-6-3-7-11-16)18-14-17(12-13-19(18)23-21)15-8-4-2-5-9-15/h2-14,23H,1H3
InChIKeyXZDRWJXXDSHZPT-UHFFFAOYSA-N
MW327.38 g/mol
LogP5.29
Rot. Bonds3

About methyl 3,5-diphenyl-1H-indole-2-carboxylate

methyl 3,5-diphenyl-1H-indole-2-carboxylate (PubChem CID 135386958) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 3,5-diphenyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,5-diphenyl-1H-indole-2-carboxylate
PubChem CID135386958
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Namemethyl 3,5-diphenyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(-c3ccccc3)cc2c1-c1ccccc1
InChIInChI=1S/C22H17NO2/c1-25-22(24)21-20(16-10-6-3-7-11-16)18-14-17(12-13-19(18)23-21)15-8-4-2-5-9-15/h2-14,23H,1H3
InChIKeyXZDRWJXXDSHZPT-UHFFFAOYSA-N
XLogP5.29
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl 3,5-diphenyl-1H-indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(3-chlorophenyl)-5,6-dimethoxy-1H-indole-2-carboxylate
CID 11573768
methyl 7-chloro-3-phenyl-1H-indole-2-carboxylate
CID 166475893
methyl 6-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylate
CID 135386772
5,6-dimethoxy-3-phenyl-1H-indole-2-carboxamide
CID 11522202
methyl 4-(4-methoxyphenyl)-1-oxo-2H-isoquinoline-3-carboxylate
CID 134913436
methyl 6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylate
CID 155519157
3-naphthalen-2-yl-5-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylic acid
CID 69355965
methyl 3-phenanthren-9-yl-1H-indole-2-carboxylate
CID 46183126
methyl 2,5-dimethyl-4-(4-phenylphenyl)-1H-pyrrole-3-carboxylate
CID 23030382
methyl 2-phenylazulene-6-carboxylate
CID 23257786
methyl 3-(1H-indol-2-yl)-5,6-dimethoxy-1H-indole-2-carboxylate
CID 86006540
5-(4-tert-butylanilino)-3-phenyl-1H-indole-2-carboxylic acid
CID 141115498

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-diphenyl-1H-indole-2-carboxylate?
The IUPAC name of methyl 3,5-diphenyl-1H-indole-2-carboxylate (CID 135386958) is methyl 3,5-diphenyl-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3,5-diphenyl-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3,5-diphenyl-1H-indole-2-carboxylate is COC(=O)c1[nH]c2ccc(-c3ccccc3)cc2c1-c1ccccc1.
What is the InChIKey of methyl 3,5-diphenyl-1H-indole-2-carboxylate?
The InChIKey is XZDRWJXXDSHZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-25-22(24)21-20(16-10-6-3-7-11-16)18-14-17(12-13-19(18)23-21)15-8-4-2-5-9-15/h2-14,23H,1H3.
What are the key properties of methyl 3,5-diphenyl-1H-indole-2-carboxylate?
methyl 3,5-diphenyl-1H-indole-2-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-diphenyl-1H-indole-2-carboxylate is sourced from PubChem (CID 135386958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).