2-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-1H-indol-3-yl]-1H-indol-3-one

C32H28N2O — CID 155664466

IUPAC2-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-1H-indol-3-yl]-1H-indol-3-one
SMILESCCc1ccc(-c2[nH]c3ccccc3c2C2(c3ccc(CC)cc3)Nc3ccccc3C2=O)cc1
InChIInChI=1S/C32H28N2O/c1-3-21-13-17-23(18-14-21)30-29(25-9-5-7-11-27(25)33-30)32(24-19-15-22(4-2)16-20-24)31(35)26-10-6-8-12-28(26)34-32/h5-20,33-34H,3-4H2,1-2H3
InChIKeyVCDCLAILPBVQQO-UHFFFAOYSA-N
MW456.59 g/mol
LogP7.51
Rot. Bonds5

About 2-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-1H-indol-3-yl]-1H-indol-3-one

2-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-1H-indol-3-yl]-1H-indol-3-one (PubChem CID 155664466) has the molecular formula C32H28N2O and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-1H-indol-3-yl]-1H-indol-3-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-1H-indol-3-yl]-1H-indol-3-one
PubChem CID155664466
Molecular FormulaC32H28N2O
Molecular Weight456.59 g/mol
Exact Mass456.22
IUPAC Name2-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-1H-indol-3-yl]-1H-indol-3-one
SMILESCCc1ccc(-c2[nH]c3ccccc3c2C2(c3ccc(CC)cc3)Nc3ccccc3C2=O)cc1
InChIInChI=1S/C32H28N2O/c1-3-21-13-17-23(18-14-21)30-29(25-9-5-7-11-27(25)33-30)32(24-19-15-22(4-2)16-20-24)31(35)26-10-6-8-12-28(26)34-32/h5-20,33-34H,3-4H2,1-2H3
InChIKeyVCDCLAILPBVQQO-UHFFFAOYSA-N
XLogP7.51
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 57.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-2-yl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-1H-indol-3-one
CID 10815248
2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-1H-indol-3-yl]-1H-indol-3-one
CID 155664469
2-(2,4-dimethylphenyl)-2-[2-(2,4-dimethylphenyl)-1H-indol-3-yl]-1H-indol-3-one
CID 10575786
2,2-bis(4-methoxyphenyl)-1H-indol-3-one
CID 138738671
ethane;1-(4-ethylphenyl)naphthalene
CID 143262541
2-cyclopropyl-2-(2-cyclopropyl-1H-indol-3-yl)-1H-indol-3-one
CID 155664473
4-(4-ethylphenyl)-2-oxo-1H-quinoline-3-carbonitrile
CID 126544781
7-propylidene-5,12-dihydroquinolino[2,3-b]acridin-14-one
CID 144583711
methyl 6-bromo-2-[2-(4-fluorophenyl)-1H-indol-3-yl]-3-oxo-1H-indole-2-carboxylate
CID 139554536
2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
CID 4211114
(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 17465083
1-(3-chlorophenyl)-3-[2-(4-ethylphenyl)-1H-indol-3-yl]urea
CID 53054162

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-1H-indol-3-yl]-1H-indol-3-one?
The IUPAC name of 2-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-1H-indol-3-yl]-1H-indol-3-one (CID 155664466) is 2-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-1H-indol-3-yl]-1H-indol-3-one.
What is the SMILES notation for 2-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-1H-indol-3-yl]-1H-indol-3-one?
The canonical SMILES for 2-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-1H-indol-3-yl]-1H-indol-3-one is CCc1ccc(-c2[nH]c3ccccc3c2C2(c3ccc(CC)cc3)Nc3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-1H-indol-3-yl]-1H-indol-3-one?
The InChIKey is VCDCLAILPBVQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O/c1-3-21-13-17-23(18-14-21)30-29(25-9-5-7-11-27(25)33-30)32(24-19-15-22(4-2)16-20-24)31(35)26-10-6-8-12-28(26)34-32/h5-20,33-34H,3-4H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-1H-indol-3-yl]-1H-indol-3-one?
2-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-1H-indol-3-yl]-1H-indol-3-one has a molecular weight of 456.59 g/mol, XLogP of 7.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-1H-indol-3-yl]-1H-indol-3-one is sourced from PubChem (CID 155664466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).