methyl 1-benzyl-4-(1-benzyl-5,6-dimethoxy-2-methoxycarbonylindol-4-yl)-5,6-dimethoxyindole-2-carboxylate

C38H36N2O8 — CID 25140716

IUPACmethyl 1-benzyl-4-(1-benzyl-5,6-dimethoxy-2-methoxycarbonylindol-4-yl)-5,6-dimethoxyindole-2-carboxylate
SMILESCOC(=O)c1cc2c(-c3c(OC)c(OC)cc4c3cc(C(=O)OC)n4Cc3ccccc3)c(OC)c(OC)cc2n1Cc1ccccc1
InChIInChI=1S/C38H36N2O8/c1-43-31-19-27-25(17-29(37(41)47-5)39(27)21-23-13-9-7-10-14-23)33(35(31)45-3)34-26-18-30(38(42)48-6)40(22-24-15-11-8-12-16-24)28(26)20-32(44-2)36(34)46-4/h7-20H,21-22H2,1-6H3
InChIKeyOKASMLLIPIGARM-UHFFFAOYSA-N
MW648.71 g/mol
LogP6.97
Rot. Bonds11

About methyl 1-benzyl-4-(1-benzyl-5,6-dimethoxy-2-methoxycarbonylindol-4-yl)-5,6-dimethoxyindole-2-carboxylate

methyl 1-benzyl-4-(1-benzyl-5,6-dimethoxy-2-methoxycarbonylindol-4-yl)-5,6-dimethoxyindole-2-carboxylate (PubChem CID 25140716) has the molecular formula C38H36N2O8 and a molecular weight of 648.71 g/mol. Its IUPAC name is methyl 1-benzyl-4-(1-benzyl-5,6-dimethoxy-2-methoxycarbonylindol-4-yl)-5,6-dimethoxyindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-4-(1-benzyl-5,6-dimethoxy-2-methoxycarbonylindol-4-yl)-5,6-dimethoxyindole-2-carboxylate
PubChem CID25140716
Molecular FormulaC38H36N2O8
Molecular Weight648.71 g/mol
Exact Mass648.25
IUPAC Namemethyl 1-benzyl-4-(1-benzyl-5,6-dimethoxy-2-methoxycarbonylindol-4-yl)-5,6-dimethoxyindole-2-carboxylate
SMILESCOC(=O)c1cc2c(-c3c(OC)c(OC)cc4c3cc(C(=O)OC)n4Cc3ccccc3)c(OC)c(OC)cc2n1Cc1ccccc1
InChIInChI=1S/C38H36N2O8/c1-43-31-19-27-25(17-29(37(41)47-5)39(27)21-23-13-9-7-10-14-23)33(35(31)45-3)34-26-18-30(38(42)48-6)40(22-24-15-11-8-12-16-24)28(26)20-32(44-2)36(34)46-4/h7-20H,21-22H2,1-6H3
InChIKeyOKASMLLIPIGARM-UHFFFAOYSA-N
XLogP6.97
TPSA99.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.71
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 1-benzyl-4-(1-benzyl-5,6-dimethoxy-2-methoxycarbonylindol-4-yl)-5,6-dimethoxyindole-2-carboxylate with MolForge

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Related Compounds

methyl 1-benzyl-4-hydroxyindole-2-carboxylate
CID 18522126
methyl 1-benzyl-4-(2-hydroxyethoxy)indole-2-carboxylate
CID 18522132
dimethyl 1-benzyl-5-methylpyrrole-2,4-dicarboxylate
CID 11818528
methyl 4-acetyl-1-benzyl-5-methylpyrrole-2-carboxylate
CID 12027879
methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate
CID 6625222
2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid
CID 95914099
dimethyl 11-benzylindolizino[8,7-b]indole-2,5-dicarboxylate
CID 46894226
methyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-carboxylate
CID 10404037
methyl 4-benzyl-2-(2,4-dichlorophenoxy)furo[3,2-b]pyrrole-5-carboxylate
CID 101128974
1-(1-benzyl-4-methoxy-7,8-dihydro-6H-cyclopenta[g]indol-2-yl)ethanone
CID 11336158
methyl 1-benzyl-5-fluoro-3,4-diphenylpyrrole-2-carboxylate
CID 175003273
1-O-benzyl 2-O-methyl 5,6,7-trimethoxyindole-1,2-dicarboxylate
CID 11234949

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-4-(1-benzyl-5,6-dimethoxy-2-methoxycarbonylindol-4-yl)-5,6-dimethoxyindole-2-carboxylate?
The IUPAC name of methyl 1-benzyl-4-(1-benzyl-5,6-dimethoxy-2-methoxycarbonylindol-4-yl)-5,6-dimethoxyindole-2-carboxylate (CID 25140716) is methyl 1-benzyl-4-(1-benzyl-5,6-dimethoxy-2-methoxycarbonylindol-4-yl)-5,6-dimethoxyindole-2-carboxylate.
What is the SMILES notation for methyl 1-benzyl-4-(1-benzyl-5,6-dimethoxy-2-methoxycarbonylindol-4-yl)-5,6-dimethoxyindole-2-carboxylate?
The canonical SMILES for methyl 1-benzyl-4-(1-benzyl-5,6-dimethoxy-2-methoxycarbonylindol-4-yl)-5,6-dimethoxyindole-2-carboxylate is COC(=O)c1cc2c(-c3c(OC)c(OC)cc4c3cc(C(=O)OC)n4Cc3ccccc3)c(OC)c(OC)cc2n1Cc1ccccc1.
What is the InChIKey of methyl 1-benzyl-4-(1-benzyl-5,6-dimethoxy-2-methoxycarbonylindol-4-yl)-5,6-dimethoxyindole-2-carboxylate?
The InChIKey is OKASMLLIPIGARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N2O8/c1-43-31-19-27-25(17-29(37(41)47-5)39(27)21-23-13-9-7-10-14-23)33(35(31)45-3)34-26-18-30(38(42)48-6)40(22-24-15-11-8-12-16-24)28(26)20-32(44-2)36(34)46-4/h7-20H,21-22H2,1-6H3.
What are the key properties of methyl 1-benzyl-4-(1-benzyl-5,6-dimethoxy-2-methoxycarbonylindol-4-yl)-5,6-dimethoxyindole-2-carboxylate?
methyl 1-benzyl-4-(1-benzyl-5,6-dimethoxy-2-methoxycarbonylindol-4-yl)-5,6-dimethoxyindole-2-carboxylate has a molecular weight of 648.71 g/mol, XLogP of 6.97, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-4-(1-benzyl-5,6-dimethoxy-2-methoxycarbonylindol-4-yl)-5,6-dimethoxyindole-2-carboxylate is sourced from PubChem (CID 25140716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).