ethyl 2,3-diphenylbenzo[g]indole-1-carboxylate

C27H21NO2 — CID 102335949

IUPACethyl 2,3-diphenylbenzo[g]indole-1-carboxylate
SMILESCCOC(=O)n1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21
InChIInChI=1S/C27H21NO2/c1-2-30-27(29)28-25(21-14-7-4-8-15-21)24(20-12-5-3-6-13-20)23-18-17-19-11-9-10-16-22(19)26(23)28/h3-18H,2H2,1H3
InChIKeyUIBABTSFLMFPKH-UHFFFAOYSA-N
MW391.47 g/mol
LogP7.13
Rot. Bonds3

About ethyl 2,3-diphenylbenzo[g]indole-1-carboxylate

ethyl 2,3-diphenylbenzo[g]indole-1-carboxylate (PubChem CID 102335949) has the molecular formula C27H21NO2 and a molecular weight of 391.47 g/mol. Its IUPAC name is ethyl 2,3-diphenylbenzo[g]indole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-diphenylbenzo[g]indole-1-carboxylate
PubChem CID102335949
Molecular FormulaC27H21NO2
Molecular Weight391.47 g/mol
Exact Mass391.16
IUPAC Nameethyl 2,3-diphenylbenzo[g]indole-1-carboxylate
SMILESCCOC(=O)n1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21
InChIInChI=1S/C27H21NO2/c1-2-30-27(29)28-25(21-14-7-4-8-15-21)24(20-12-5-3-6-13-20)23-18-17-19-11-9-10-16-22(19)26(23)28/h3-18H,2H2,1H3
InChIKeyUIBABTSFLMFPKH-UHFFFAOYSA-N
XLogP7.13
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
ethyl acetate;phenanthrene
CID 160726264
ethyl 2-hydroxy-6-phenylindole-1-carboxylate
CID 57179740
(2S)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 35583248
(2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 28566412
ethyl 3-[(E)-3-methoxy-3-oxoprop-1-enyl]-2-phenylindole-1-carboxylate
CID 11360053
ethyl 3-benzoyl-2-phenylnaphtho[2,1-e]indolizine-1-carboxylate
CID 132596240
diethyl 1-(4-bromophenyl)-4-phenylnaphthalene-2,3-dicarboxylate
CID 135018432
1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(1-phenylethylamino)propan-2-ol;hydrochloride
CID 163330945
ethyl [1-(2-phenylphenyl)naphthalen-2-yl] carbonate
CID 69031566
tetraethyl octacyclo[16.16.0.02,15.05,14.06,11.019,32.022,31.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene-3,4,20,21-tetracarboxylate
CID 134962471
1-(dicyclohexylamino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol;oxalic acid
CID 163329973

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-diphenylbenzo[g]indole-1-carboxylate?
The IUPAC name of ethyl 2,3-diphenylbenzo[g]indole-1-carboxylate (CID 102335949) is ethyl 2,3-diphenylbenzo[g]indole-1-carboxylate.
What is the SMILES notation for ethyl 2,3-diphenylbenzo[g]indole-1-carboxylate?
The canonical SMILES for ethyl 2,3-diphenylbenzo[g]indole-1-carboxylate is CCOC(=O)n1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21.
What is the InChIKey of ethyl 2,3-diphenylbenzo[g]indole-1-carboxylate?
The InChIKey is UIBABTSFLMFPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO2/c1-2-30-27(29)28-25(21-14-7-4-8-15-21)24(20-12-5-3-6-13-20)23-18-17-19-11-9-10-16-22(19)26(23)28/h3-18H,2H2,1H3.
What are the key properties of ethyl 2,3-diphenylbenzo[g]indole-1-carboxylate?
ethyl 2,3-diphenylbenzo[g]indole-1-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 7.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-diphenylbenzo[g]indole-1-carboxylate is sourced from PubChem (CID 102335949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).