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

C32H28N2O — CID 10575786

IUPAC2-(2,4-dimethylphenyl)-2-[2-(2,4-dimethylphenyl)-1H-indol-3-yl]-1H-indol-3-one
SMILESCc1ccc(-c2[nH]c3ccccc3c2C2(c3ccc(C)cc3C)Nc3ccccc3C2=O)c(C)c1
InChIInChI=1S/C32H28N2O/c1-19-13-15-23(21(3)17-19)30-29(24-9-5-7-11-27(24)33-30)32(26-16-14-20(2)18-22(26)4)31(35)25-10-6-8-12-28(25)34-32/h5-18,33-34H,1-4H3
InChIKeyYBRDSRXNPMEZNF-UHFFFAOYSA-N
MW456.59 g/mol
LogP7.62
Rot. Bonds3

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

2-(2,4-dimethylphenyl)-2-[2-(2,4-dimethylphenyl)-1H-indol-3-yl]-1H-indol-3-one (PubChem CID 10575786) has the molecular formula C32H28N2O and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-2-[2-(2,4-dimethylphenyl)-1H-indol-3-yl]-1H-indol-3-one.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-2-[2-(2,4-dimethylphenyl)-1H-indol-3-yl]-1H-indol-3-one
PubChem CID10575786
Molecular FormulaC32H28N2O
Molecular Weight456.59 g/mol
Exact Mass456.22
IUPAC Name2-(2,4-dimethylphenyl)-2-[2-(2,4-dimethylphenyl)-1H-indol-3-yl]-1H-indol-3-one
SMILESCc1ccc(-c2[nH]c3ccccc3c2C2(c3ccc(C)cc3C)Nc3ccccc3C2=O)c(C)c1
InChIInChI=1S/C32H28N2O/c1-19-13-15-23(21(3)17-19)30-29(24-9-5-7-11-27(24)33-30)32(26-16-14-20(2)18-22(26)4)31(35)25-10-6-8-12-28(25)34-32/h5-18,33-34H,1-4H3
InChIKeyYBRDSRXNPMEZNF-UHFFFAOYSA-N
XLogP7.62
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 57.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-1H-indol-3-yl]-1H-indol-3-one
CID 155664469
2-naphthalen-2-yl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-1H-indol-3-one
CID 10815248
2-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-1H-indol-3-yl]-1H-indol-3-one
CID 155664466
2-cyclopropyl-2-(2-cyclopropyl-1H-indol-3-yl)-1H-indol-3-one
CID 155664473
3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one
CID 4555359
5,5,6,6-tetramethyl-11H-benzo[a]carbazole
CID 3770048
2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde
CID 3268343
5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde
CID 3699647
3-amino-2-(2-methylphenyl)-1H-quinolin-4-one
CID 11630194
2-(2,4-dimethylphenyl)-9H-pyrido[2,3-b]indole
CID 176621868
2-(2,4-dimethylphenyl)-1H-benzo[g]indole-3-carbaldehyde
CID 3695838
2-(2,4-dimethylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
CID 3655260

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-2-[2-(2,4-dimethylphenyl)-1H-indol-3-yl]-1H-indol-3-one?
The IUPAC name of 2-(2,4-dimethylphenyl)-2-[2-(2,4-dimethylphenyl)-1H-indol-3-yl]-1H-indol-3-one (CID 10575786) is 2-(2,4-dimethylphenyl)-2-[2-(2,4-dimethylphenyl)-1H-indol-3-yl]-1H-indol-3-one.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-2-[2-(2,4-dimethylphenyl)-1H-indol-3-yl]-1H-indol-3-one?
The canonical SMILES for 2-(2,4-dimethylphenyl)-2-[2-(2,4-dimethylphenyl)-1H-indol-3-yl]-1H-indol-3-one is Cc1ccc(-c2[nH]c3ccccc3c2C2(c3ccc(C)cc3C)Nc3ccccc3C2=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-2-[2-(2,4-dimethylphenyl)-1H-indol-3-yl]-1H-indol-3-one?
The InChIKey is YBRDSRXNPMEZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O/c1-19-13-15-23(21(3)17-19)30-29(24-9-5-7-11-27(24)33-30)32(26-16-14-20(2)18-22(26)4)31(35)25-10-6-8-12-28(25)34-32/h5-18,33-34H,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)-2-[2-(2,4-dimethylphenyl)-1H-indol-3-yl]-1H-indol-3-one?
2-(2,4-dimethylphenyl)-2-[2-(2,4-dimethylphenyl)-1H-indol-3-yl]-1H-indol-3-one has a molecular weight of 456.59 g/mol, XLogP of 7.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-2-[2-(2,4-dimethylphenyl)-1H-indol-3-yl]-1H-indol-3-one is sourced from PubChem (CID 10575786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).