1-(4-tert-butylphenyl)-2,2-bis(1-methylindol-3-yl)ethanone

C30H30N2O — CID 102103552

IUPAC1-(4-tert-butylphenyl)-2,2-bis(1-methylindol-3-yl)ethanone
SMILESCn1cc(C(C(=O)c2ccc(C(C)(C)C)cc2)c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C30H30N2O/c1-30(2,3)21-16-14-20(15-17-21)29(33)28(24-18-31(4)26-12-8-6-10-22(24)26)25-19-32(5)27-13-9-7-11-23(25)27/h6-19,28H,1-5H3
InChIKeyGKMKPXDUPJVNDY-UHFFFAOYSA-N
MW434.58 g/mol
LogP6.98
Rot. Bonds4

About 1-(4-tert-butylphenyl)-2,2-bis(1-methylindol-3-yl)ethanone

1-(4-tert-butylphenyl)-2,2-bis(1-methylindol-3-yl)ethanone (PubChem CID 102103552) has the molecular formula C30H30N2O and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2,2-bis(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2,2-bis(1-methylindol-3-yl)ethanone
PubChem CID102103552
Molecular FormulaC30H30N2O
Molecular Weight434.58 g/mol
Exact Mass434.24
IUPAC Name1-(4-tert-butylphenyl)-2,2-bis(1-methylindol-3-yl)ethanone
SMILESCn1cc(C(C(=O)c2ccc(C(C)(C)C)cc2)c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C30H30N2O/c1-30(2,3)21-16-14-20(15-17-21)29(33)28(24-18-31(4)26-12-8-6-10-22(24)26)25-19-32(5)27-13-9-7-11-23(25)27/h6-19,28H,1-5H3
InChIKeyGKMKPXDUPJVNDY-UHFFFAOYSA-N
XLogP6.98
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-tert-butylphenyl)-2,2-bis(1-methylindol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2,2-bis(1-methylindol-3-yl)ethanone?
The IUPAC name of 1-(4-tert-butylphenyl)-2,2-bis(1-methylindol-3-yl)ethanone (CID 102103552) is 1-(4-tert-butylphenyl)-2,2-bis(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2,2-bis(1-methylindol-3-yl)ethanone?
The canonical SMILES for 1-(4-tert-butylphenyl)-2,2-bis(1-methylindol-3-yl)ethanone is Cn1cc(C(C(=O)c2ccc(C(C)(C)C)cc2)c2cn(C)c3ccccc23)c2ccccc21.
What is the InChIKey of 1-(4-tert-butylphenyl)-2,2-bis(1-methylindol-3-yl)ethanone?
The InChIKey is GKMKPXDUPJVNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O/c1-30(2,3)21-16-14-20(15-17-21)29(33)28(24-18-31(4)26-12-8-6-10-22(24)26)25-19-32(5)27-13-9-7-11-23(25)27/h6-19,28H,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2,2-bis(1-methylindol-3-yl)ethanone?
1-(4-tert-butylphenyl)-2,2-bis(1-methylindol-3-yl)ethanone has a molecular weight of 434.58 g/mol, XLogP of 6.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2,2-bis(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 102103552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).