[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-diphenylmethyl]benzene

C29H30 — CID 173204757

IUPAC[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-diphenylmethyl]benzene
SMILESCC1=C(C)C(C)(C)C(C(c2ccccc2)(c2ccccc2)c2ccccc2)=C1C
InChIInChI=1S/C29H30/c1-21-22(2)27(28(4,5)23(21)3)29(24-15-9-6-10-16-24,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20H,1-5H3
InChIKeyCXWITXZZZAIJKH-UHFFFAOYSA-N
MW378.56 g/mol
LogP7.71
Rot. Bonds4

About [(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-diphenylmethyl]benzene

[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-diphenylmethyl]benzene (PubChem CID 173204757) has the molecular formula C29H30 and a molecular weight of 378.56 g/mol. Its IUPAC name is [(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-diphenylmethyl]benzene.

Molecular Properties

Compound Name[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-diphenylmethyl]benzene
PubChem CID173204757
Molecular FormulaC29H30
Molecular Weight378.56 g/mol
Exact Mass378.23
IUPAC Name[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-diphenylmethyl]benzene
SMILESCC1=C(C)C(C)(C)C(C(c2ccccc2)(c2ccccc2)c2ccccc2)=C1C
InChIInChI=1S/C29H30/c1-21-22(2)27(28(4,5)23(21)3)29(24-15-9-6-10-16-24,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20H,1-5H3
InChIKeyCXWITXZZZAIJKH-UHFFFAOYSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(2,3,4,5,5-pentamethylcyclopenta-1,3-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

Frequently Asked Questions

What is the IUPAC name of [(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-diphenylmethyl]benzene?
The IUPAC name of [(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-diphenylmethyl]benzene (CID 173204757) is [(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-diphenylmethyl]benzene.
What is the SMILES notation for [(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-diphenylmethyl]benzene?
The canonical SMILES for [(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-diphenylmethyl]benzene is CC1=C(C)C(C)(C)C(C(c2ccccc2)(c2ccccc2)c2ccccc2)=C1C.
What is the InChIKey of [(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-diphenylmethyl]benzene?
The InChIKey is CXWITXZZZAIJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30/c1-21-22(2)27(28(4,5)23(21)3)29(24-15-9-6-10-16-24,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20H,1-5H3.
What are the key properties of [(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-diphenylmethyl]benzene?
[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-diphenylmethyl]benzene has a molecular weight of 378.56 g/mol, XLogP of 7.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)-diphenylmethyl]benzene is sourced from PubChem (CID 173204757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).