1-[3-[(1-acetylindol-3-yl)-(2-phenyl-1H-indol-3-yl)amino]indol-1-yl]ethanone

C34H26N4O2 — CID 101242968

IUPAC1-[3-[(1-acetylindol-3-yl)-(2-phenyl-1H-indol-3-yl)amino]indol-1-yl]ethanone
SMILESCC(=O)n1cc(N(c2c(-c3ccccc3)[nH]c3ccccc23)c2cn(C(C)=O)c3ccccc23)c2ccccc21
InChIInChI=1S/C34H26N4O2/c1-22(39)36-20-31(26-15-7-10-18-29(26)36)38(32-21-37(23(2)40)30-19-11-8-16-27(30)32)34-25-14-6-9-17-28(25)35-33(34)24-12-4-3-5-13-24/h3-21,35H,1-2H3
InChIKeySCVNCIXHSLRFTG-UHFFFAOYSA-N
MW522.61 g/mol
LogP8.53
Rot. Bonds4

About 1-[3-[(1-acetylindol-3-yl)-(2-phenyl-1H-indol-3-yl)amino]indol-1-yl]ethanone

1-[3-[(1-acetylindol-3-yl)-(2-phenyl-1H-indol-3-yl)amino]indol-1-yl]ethanone (PubChem CID 101242968) has the molecular formula C34H26N4O2 and a molecular weight of 522.61 g/mol. Its IUPAC name is 1-[3-[(1-acetylindol-3-yl)-(2-phenyl-1H-indol-3-yl)amino]indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(1-acetylindol-3-yl)-(2-phenyl-1H-indol-3-yl)amino]indol-1-yl]ethanone
PubChem CID101242968
Molecular FormulaC34H26N4O2
Molecular Weight522.61 g/mol
Exact Mass522.21
IUPAC Name1-[3-[(1-acetylindol-3-yl)-(2-phenyl-1H-indol-3-yl)amino]indol-1-yl]ethanone
SMILESCC(=O)n1cc(N(c2c(-c3ccccc3)[nH]c3ccccc23)c2cn(C(C)=O)c3ccccc23)c2ccccc21
InChIInChI=1S/C34H26N4O2/c1-22(39)36-20-31(26-15-7-10-18-29(26)36)38(32-21-37(23(2)40)30-19-11-8-16-27(30)32)34-25-14-6-9-17-28(25)35-33(34)24-12-4-3-5-13-24/h3-21,35H,1-2H3
InChIKeySCVNCIXHSLRFTG-UHFFFAOYSA-N
XLogP8.53
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 58.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxynaphthalen-1-yl)-N-(2-phenyl-1H-indol-3-yl)acetamide
CID 171341762
1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 24819149
1-(2-phenyl-1H-indol-3-yl)propan-2-one
CID 83780172
N-(1-acetylindol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide
CID 91971412
N-(1-acetylindol-3-yl)-N-(3-fluorophenyl)acetamide
CID 127045404
methyl 3-[1-(1-acetylindol-3-yl)ethyl]-1H-indole-2-carboxylate
CID 173376818
2-[(1-acetylindol-3-yl)amino]benzoic acid
CID 755475
2-(1-acetylindol-3-yl)-1-phenylethanone
CID 15749679
(1-acetylindol-3-yl) N,N-diethylcarbamate
CID 101433399
1-acetyl-N,N-diethylindole-3-carboxamide
CID 113207891
1-[3-(dimethylamino)-1H-indol-2-yl]ethanone
CID 124705743
(E)-4-(1-acetylindol-3-yl)but-3-en-2-one
CID 775095

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-acetylindol-3-yl)-(2-phenyl-1H-indol-3-yl)amino]indol-1-yl]ethanone?
The IUPAC name of 1-[3-[(1-acetylindol-3-yl)-(2-phenyl-1H-indol-3-yl)amino]indol-1-yl]ethanone (CID 101242968) is 1-[3-[(1-acetylindol-3-yl)-(2-phenyl-1H-indol-3-yl)amino]indol-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(1-acetylindol-3-yl)-(2-phenyl-1H-indol-3-yl)amino]indol-1-yl]ethanone?
The canonical SMILES for 1-[3-[(1-acetylindol-3-yl)-(2-phenyl-1H-indol-3-yl)amino]indol-1-yl]ethanone is CC(=O)n1cc(N(c2c(-c3ccccc3)[nH]c3ccccc23)c2cn(C(C)=O)c3ccccc23)c2ccccc21.
What is the InChIKey of 1-[3-[(1-acetylindol-3-yl)-(2-phenyl-1H-indol-3-yl)amino]indol-1-yl]ethanone?
The InChIKey is SCVNCIXHSLRFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N4O2/c1-22(39)36-20-31(26-15-7-10-18-29(26)36)38(32-21-37(23(2)40)30-19-11-8-16-27(30)32)34-25-14-6-9-17-28(25)35-33(34)24-12-4-3-5-13-24/h3-21,35H,1-2H3.
What are the key properties of 1-[3-[(1-acetylindol-3-yl)-(2-phenyl-1H-indol-3-yl)amino]indol-1-yl]ethanone?
1-[3-[(1-acetylindol-3-yl)-(2-phenyl-1H-indol-3-yl)amino]indol-1-yl]ethanone has a molecular weight of 522.61 g/mol, XLogP of 8.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-acetylindol-3-yl)-(2-phenyl-1H-indol-3-yl)amino]indol-1-yl]ethanone is sourced from PubChem (CID 101242968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).