methyl 3-[[6-(1-benzoylindol-6-yl)indol-1-yl]methyl]benzoate

C32H24N2O3 — CID 56851741

IUPACmethyl 3-[[6-(1-benzoylindol-6-yl)indol-1-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6ccccc6)c5c4)cc32)c1
InChIInChI=1S/C32H24N2O3/c1-37-32(36)28-9-5-6-22(18-28)21-33-16-14-23-10-12-26(19-29(23)33)27-13-11-24-15-17-34(30(24)20-27)31(35)25-7-3-2-4-8-25/h2-20H,21H2,1H3
InChIKeyWRFJYMBGXODNAF-UHFFFAOYSA-N
MW484.56 g/mol
LogP6.79
Rot. Bonds5

About methyl 3-[[6-(1-benzoylindol-6-yl)indol-1-yl]methyl]benzoate

methyl 3-[[6-(1-benzoylindol-6-yl)indol-1-yl]methyl]benzoate (PubChem CID 56851741) has the molecular formula C32H24N2O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is methyl 3-[[6-(1-benzoylindol-6-yl)indol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-(1-benzoylindol-6-yl)indol-1-yl]methyl]benzoate
PubChem CID56851741
Molecular FormulaC32H24N2O3
Molecular Weight484.56 g/mol
Exact Mass484.18
IUPAC Namemethyl 3-[[6-(1-benzoylindol-6-yl)indol-1-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6ccccc6)c5c4)cc32)c1
InChIInChI=1S/C32H24N2O3/c1-37-32(36)28-9-5-6-22(18-28)21-33-16-14-23-10-12-26(19-29(23)33)27-13-11-24-15-17-34(30(24)20-27)31(35)25-7-3-2-4-8-25/h2-20H,21H2,1H3
InChIKeyWRFJYMBGXODNAF-UHFFFAOYSA-N
XLogP6.79
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[6-[1-(3-methoxybenzoyl)indol-6-yl]indol-1-yl]methyl]benzoate
CID 56851756
3-[[6-[1-[(4-phenylphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682150
methyl 1-[[3-(methanesulfonamido)phenyl]methyl]indole-6-carboxylate
CID 69453700
[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]-(2-methylphenyl)methanone
CID 56851767
3-[[6-(1H-indol-6-yl)indol-1-yl]methyl]benzoic acid
CID 90682162
methyl 1-[(3-methylphenyl)methyl]indole-5-carboxylate
CID 156703114
methyl 3-[(4,6-dimethoxyindol-1-yl)methyl]benzoate
CID 110831380
methyl 1-ethylindole-6-carboxylate
CID 22467242
methyl 1-benzoyl-6-(2-methoxy-2-oxoethyl)indole-5-carboxylate
CID 101451038
cyclobutyl-[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methanone
CID 56851751
methyl 3-[[7-bromo-5-(trifluoromethyl)indol-1-yl]methyl]benzoate
CID 171842263
methyl 3-[(5-chloro-2-phenylindol-1-yl)methyl]benzoate
CID 67684782

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(1-benzoylindol-6-yl)indol-1-yl]methyl]benzoate?
The IUPAC name of methyl 3-[[6-(1-benzoylindol-6-yl)indol-1-yl]methyl]benzoate (CID 56851741) is methyl 3-[[6-(1-benzoylindol-6-yl)indol-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 3-[[6-(1-benzoylindol-6-yl)indol-1-yl]methyl]benzoate?
The canonical SMILES for methyl 3-[[6-(1-benzoylindol-6-yl)indol-1-yl]methyl]benzoate is COC(=O)c1cccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6ccccc6)c5c4)cc32)c1.
What is the InChIKey of methyl 3-[[6-(1-benzoylindol-6-yl)indol-1-yl]methyl]benzoate?
The InChIKey is WRFJYMBGXODNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O3/c1-37-32(36)28-9-5-6-22(18-28)21-33-16-14-23-10-12-26(19-29(23)33)27-13-11-24-15-17-34(30(24)20-27)31(35)25-7-3-2-4-8-25/h2-20H,21H2,1H3.
What are the key properties of methyl 3-[[6-(1-benzoylindol-6-yl)indol-1-yl]methyl]benzoate?
methyl 3-[[6-(1-benzoylindol-6-yl)indol-1-yl]methyl]benzoate has a molecular weight of 484.56 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(1-benzoylindol-6-yl)indol-1-yl]methyl]benzoate is sourced from PubChem (CID 56851741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).