[5-tert-butyl-2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]-phenylmethanone

C24H27NO — CID 154426517

IUPAC[5-tert-butyl-2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]-phenylmethanone
SMILESCN(C)C1=CC=CC1c1ccc(C(C)(C)C)cc1C(=O)c1ccccc1
InChIInChI=1S/C24H27NO/c1-24(2,3)18-14-15-19(20-12-9-13-22(20)25(4)5)21(16-18)23(26)17-10-7-6-8-11-17/h6-16,20H,1-5H3
InChIKeyCQBXUFOPLHIXFQ-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.31
Rot. Bonds4

About [5-tert-butyl-2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]-phenylmethanone

[5-tert-butyl-2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]-phenylmethanone (PubChem CID 154426517) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is [5-tert-butyl-2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-tert-butyl-2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]-phenylmethanone
PubChem CID154426517
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name[5-tert-butyl-2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]-phenylmethanone
SMILESCN(C)C1=CC=CC1c1ccc(C(C)(C)C)cc1C(=O)c1ccccc1
InChIInChI=1S/C24H27NO/c1-24(2,3)18-14-15-19(20-12-9-13-22(20)25(4)5)21(16-18)23(26)17-10-7-6-8-11-17/h6-16,20H,1-5H3
InChIKeyCQBXUFOPLHIXFQ-UHFFFAOYSA-N
XLogP5.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [5-tert-butyl-2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]-phenylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

[5-tert-butyl-2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]-phenylmethanone
CID 154426512
[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-5-chlorophenyl]-phenylmethanone
CID 154426541
(5-tert-butyl-2-hydroxyphenyl)-phenylmethanone
CID 517837
2-benzoyl-4-tert-butylbenzoic acid
CID 3106283
4-tert-butyl-2-(4-carboxybenzoyl)benzoic acid
CID 919103
(2-benzoyl-4-tert-butylphenyl) prop-2-enoate
CID 141437960
N-(2-benzoyl-4-tert-butyl-6-methylphenyl)benzamide
CID 175508225
(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone
CID 19026877
2,2-dimethylpropane;diphenylmethanone
CID 159191976
benzoyl 2-benzoyloxy-5-tert-butylbenzoate
CID 169004309
[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)phenyl]-phenylmethanone
CID 154426465
(2-tert-butyl-5-methylphenyl)-phenylmethanone
CID 58452150

Frequently Asked Questions

What is the IUPAC name of [5-tert-butyl-2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]-phenylmethanone?
The IUPAC name of [5-tert-butyl-2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]-phenylmethanone (CID 154426517) is [5-tert-butyl-2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]-phenylmethanone.
What is the SMILES notation for [5-tert-butyl-2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]-phenylmethanone?
The canonical SMILES for [5-tert-butyl-2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]-phenylmethanone is CN(C)C1=CC=CC1c1ccc(C(C)(C)C)cc1C(=O)c1ccccc1.
What is the InChIKey of [5-tert-butyl-2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]-phenylmethanone?
The InChIKey is CQBXUFOPLHIXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-24(2,3)18-14-15-19(20-12-9-13-22(20)25(4)5)21(16-18)23(26)17-10-7-6-8-11-17/h6-16,20H,1-5H3.
What are the key properties of [5-tert-butyl-2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]-phenylmethanone?
[5-tert-butyl-2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]-phenylmethanone has a molecular weight of 345.49 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-tert-butyl-2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]-phenylmethanone is sourced from PubChem (CID 154426517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).