2-[3-(diphenylcarbamoyl)-6-phenylmethoxyindol-1-yl]benzoic acid

C35H26N2O4 — CID 121362684

IUPAC2-[3-(diphenylcarbamoyl)-6-phenylmethoxyindol-1-yl]benzoic acid
SMILESO=C(O)c1ccccc1-n1cc(C(=O)N(c2ccccc2)c2ccccc2)c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C35H26N2O4/c38-34(37(26-14-6-2-7-15-26)27-16-8-3-9-17-27)31-23-36(32-19-11-10-18-30(32)35(39)40)33-22-28(20-21-29(31)33)41-24-25-12-4-1-5-13-25/h1-23H,24H2,(H,39,40)
InChIKeyGLZGDKHLTKEVMK-UHFFFAOYSA-N
MW538.60 g/mol
LogP7.89
Rot. Bonds8

About 2-[3-(diphenylcarbamoyl)-6-phenylmethoxyindol-1-yl]benzoic acid

2-[3-(diphenylcarbamoyl)-6-phenylmethoxyindol-1-yl]benzoic acid (PubChem CID 121362684) has the molecular formula C35H26N2O4 and a molecular weight of 538.60 g/mol. Its IUPAC name is 2-[3-(diphenylcarbamoyl)-6-phenylmethoxyindol-1-yl]benzoic acid.

Molecular Properties

Compound Name2-[3-(diphenylcarbamoyl)-6-phenylmethoxyindol-1-yl]benzoic acid
PubChem CID121362684
Molecular FormulaC35H26N2O4
Molecular Weight538.60 g/mol
Exact Mass538.19
IUPAC Name2-[3-(diphenylcarbamoyl)-6-phenylmethoxyindol-1-yl]benzoic acid
SMILESO=C(O)c1ccccc1-n1cc(C(=O)N(c2ccccc2)c2ccccc2)c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C35H26N2O4/c38-34(37(26-14-6-2-7-15-26)27-16-8-3-9-17-27)31-23-36(32-19-11-10-18-30(32)35(39)40)33-22-28(20-21-29(31)33)41-24-25-12-4-1-5-13-25/h1-23H,24H2,(H,39,40)
InChIKeyGLZGDKHLTKEVMK-UHFFFAOYSA-N
XLogP7.89
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.60
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(diphenylcarbamoyl)-6-phenylmethoxyindol-1-yl]benzoic acid?
The IUPAC name of 2-[3-(diphenylcarbamoyl)-6-phenylmethoxyindol-1-yl]benzoic acid (CID 121362684) is 2-[3-(diphenylcarbamoyl)-6-phenylmethoxyindol-1-yl]benzoic acid.
What is the SMILES notation for 2-[3-(diphenylcarbamoyl)-6-phenylmethoxyindol-1-yl]benzoic acid?
The canonical SMILES for 2-[3-(diphenylcarbamoyl)-6-phenylmethoxyindol-1-yl]benzoic acid is O=C(O)c1ccccc1-n1cc(C(=O)N(c2ccccc2)c2ccccc2)c2ccc(OCc3ccccc3)cc21.
What is the InChIKey of 2-[3-(diphenylcarbamoyl)-6-phenylmethoxyindol-1-yl]benzoic acid?
The InChIKey is GLZGDKHLTKEVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2O4/c38-34(37(26-14-6-2-7-15-26)27-16-8-3-9-17-27)31-23-36(32-19-11-10-18-30(32)35(39)40)33-22-28(20-21-29(31)33)41-24-25-12-4-1-5-13-25/h1-23H,24H2,(H,39,40).
What are the key properties of 2-[3-(diphenylcarbamoyl)-6-phenylmethoxyindol-1-yl]benzoic acid?
2-[3-(diphenylcarbamoyl)-6-phenylmethoxyindol-1-yl]benzoic acid has a molecular weight of 538.60 g/mol, XLogP of 7.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diphenylcarbamoyl)-6-phenylmethoxyindol-1-yl]benzoic acid is sourced from PubChem (CID 121362684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).