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

C33H26N2O4 — CID 56851756

IUPACmethyl 3-[[6-[1-(3-methoxybenzoyl)indol-6-yl]indol-1-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6cccc(OC)c6)c5c4)cc32)c1
InChIInChI=1S/C33H26N2O4/c1-38-29-8-4-6-27(18-29)32(36)35-16-14-24-10-12-26(20-31(24)35)25-11-9-23-13-15-34(30(23)19-25)21-22-5-3-7-28(17-22)33(37)39-2/h3-20H,21H2,1-2H3
InChIKeyCPJLVSYMFXHOJG-UHFFFAOYSA-N
MW514.58 g/mol
LogP6.80
Rot. Bonds6

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

methyl 3-[[6-[1-(3-methoxybenzoyl)indol-6-yl]indol-1-yl]methyl]benzoate (PubChem CID 56851756) has the molecular formula C33H26N2O4 and a molecular weight of 514.58 g/mol. Its IUPAC name is methyl 3-[[6-[1-(3-methoxybenzoyl)indol-6-yl]indol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-[1-(3-methoxybenzoyl)indol-6-yl]indol-1-yl]methyl]benzoate
PubChem CID56851756
Molecular FormulaC33H26N2O4
Molecular Weight514.58 g/mol
Exact Mass514.19
IUPAC Namemethyl 3-[[6-[1-(3-methoxybenzoyl)indol-6-yl]indol-1-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6cccc(OC)c6)c5c4)cc32)c1
InChIInChI=1S/C33H26N2O4/c1-38-29-8-4-6-27(18-29)32(36)35-16-14-24-10-12-26(20-31(24)35)25-11-9-23-13-15-34(30(23)19-25)21-22-5-3-7-28(17-22)33(37)39-2/h3-20H,21H2,1-2H3
InChIKeyCPJLVSYMFXHOJG-UHFFFAOYSA-N
XLogP6.80
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.58
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[6-[1-(3-methoxybenzoyl)indol-6-yl]indol-1-yl]methyl]benzoate with MolForge

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Related Compounds

methyl 3-[[6-(1-benzoylindol-6-yl)indol-1-yl]methyl]benzoate
CID 56851741
[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]-(2-methylphenyl)methanone
CID 56851767
methyl 3-[(4,6-dimethoxyindol-1-yl)methyl]benzoate
CID 110831380
methyl 1-[[3-(methanesulfonamido)phenyl]methyl]indole-6-carboxylate
CID 69453700
3-[[6-[1-[(4-phenylphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682150
methyl 1-[(3-methylphenyl)methyl]indole-5-carboxylate
CID 156703114
cyclobutyl-[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methanone
CID 56851751
methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate
CID 67685081
3-[[6-(1H-indol-6-yl)indol-1-yl]methyl]benzoic acid
CID 90682162
(2S,4S)-N-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120640767
methyl 1-ethylindole-6-carboxylate
CID 22467242
methyl 3-[(5-methoxy-2-propan-2-ylindol-1-yl)methyl]benzoate
CID 67684489

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-[1-(3-methoxybenzoyl)indol-6-yl]indol-1-yl]methyl]benzoate?
The IUPAC name of methyl 3-[[6-[1-(3-methoxybenzoyl)indol-6-yl]indol-1-yl]methyl]benzoate (CID 56851756) is methyl 3-[[6-[1-(3-methoxybenzoyl)indol-6-yl]indol-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 3-[[6-[1-(3-methoxybenzoyl)indol-6-yl]indol-1-yl]methyl]benzoate?
The canonical SMILES for methyl 3-[[6-[1-(3-methoxybenzoyl)indol-6-yl]indol-1-yl]methyl]benzoate is COC(=O)c1cccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6cccc(OC)c6)c5c4)cc32)c1.
What is the InChIKey of methyl 3-[[6-[1-(3-methoxybenzoyl)indol-6-yl]indol-1-yl]methyl]benzoate?
The InChIKey is CPJLVSYMFXHOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2O4/c1-38-29-8-4-6-27(18-29)32(36)35-16-14-24-10-12-26(20-31(24)35)25-11-9-23-13-15-34(30(23)19-25)21-22-5-3-7-28(17-22)33(37)39-2/h3-20H,21H2,1-2H3.
What are the key properties of methyl 3-[[6-[1-(3-methoxybenzoyl)indol-6-yl]indol-1-yl]methyl]benzoate?
methyl 3-[[6-[1-(3-methoxybenzoyl)indol-6-yl]indol-1-yl]methyl]benzoate has a molecular weight of 514.58 g/mol, XLogP of 6.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-[1-(3-methoxybenzoyl)indol-6-yl]indol-1-yl]methyl]benzoate is sourced from PubChem (CID 56851756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).