[(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene

C28H28 — CID 141345904

IUPAC[(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene
SMILESCCC(C)C1=CC=CC1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28/c1-3-22(2)26-20-13-21-27(26)28(23-14-7-4-8-15-23,24-16-9-5-10-17-24)25-18-11-6-12-19-25/h4-22,27H,3H2,1-2H3
InChIKeyITYVIAGZQQBRPQ-UHFFFAOYSA-N
MW364.53 g/mol
LogP7.18
Rot. Bonds6

About [(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene

[(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene (PubChem CID 141345904) has the molecular formula C28H28 and a molecular weight of 364.53 g/mol. Its IUPAC name is [(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene.

Molecular Properties

Compound Name[(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene
PubChem CID141345904
Molecular FormulaC28H28
Molecular Weight364.53 g/mol
Exact Mass364.22
IUPAC Name[(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene
SMILESCCC(C)C1=CC=CC1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28/c1-3-22(2)26-20-13-21-27(26)28(23-14-7-4-8-15-23,24-16-9-5-10-17-24)25-18-11-6-12-19-25/h4-22,27H,3H2,1-2H3
InChIKeyITYVIAGZQQBRPQ-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene 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

1-[(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene
CID 141345898
[diphenyl-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene
CID 141345838
[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]-diphenylmethanol
CID 102351824
(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane
CID 140852530
(6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene
CID 142008819
triethyl(trityl)phosphanium
CID 18355930
tert-butylbenzene;3-ethyl-2-methylpentane
CID 177346689
1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene
CID 59456240
3-ethyl-5-methyl-3-phenylheptan-4-amine
CID 79446709
[(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene
CID 141345784
CID 142554279
CID 142554279
2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane
CID 142581096

Frequently Asked Questions

What is the IUPAC name of [(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene?
The IUPAC name of [(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene (CID 141345904) is [(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene.
What is the SMILES notation for [(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene?
The canonical SMILES for [(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene is CCC(C)C1=CC=CC1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene?
The InChIKey is ITYVIAGZQQBRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28/c1-3-22(2)26-20-13-21-27(26)28(23-14-7-4-8-15-23,24-16-9-5-10-17-24)25-18-11-6-12-19-25/h4-22,27H,3H2,1-2H3.
What are the key properties of [(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene?
[(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene has a molecular weight of 364.53 g/mol, XLogP of 7.18, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene is sourced from PubChem (CID 141345904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).