1,1,2,2,2-pentakis-phenylethylbenzene

C38H30 — CID 519482

IUPAC1,1,2,2,2-pentakis-phenylethylbenzene
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H30/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
InChIKeyIPOBVSHPVYWJQC-UHFFFAOYSA-N
MW486.66 g/mol
LogP9.06
Rot. Bonds7

About 1,1,2,2,2-pentakis-phenylethylbenzene

1,1,2,2,2-pentakis-phenylethylbenzene (PubChem CID 519482) has the molecular formula C38H30 and a molecular weight of 486.66 g/mol. Its IUPAC name is 1,1,2,2,2-pentakis-phenylethylbenzene.

Molecular Properties

Compound Name1,1,2,2,2-pentakis-phenylethylbenzene
PubChem CID519482
Molecular FormulaC38H30
Molecular Weight486.66 g/mol
Exact Mass486.23
IUPAC Name1,1,2,2,2-pentakis-phenylethylbenzene
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H30/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
InChIKeyIPOBVSHPVYWJQC-UHFFFAOYSA-N
XLogP9.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentakis-phenylethylbenzene?
The IUPAC name of 1,1,2,2,2-pentakis-phenylethylbenzene (CID 519482) is 1,1,2,2,2-pentakis-phenylethylbenzene.
What is the SMILES notation for 1,1,2,2,2-pentakis-phenylethylbenzene?
The canonical SMILES for 1,1,2,2,2-pentakis-phenylethylbenzene is c1ccc(C(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,1,2,2,2-pentakis-phenylethylbenzene?
The InChIKey is IPOBVSHPVYWJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H.
What are the key properties of 1,1,2,2,2-pentakis-phenylethylbenzene?
1,1,2,2,2-pentakis-phenylethylbenzene has a molecular weight of 486.66 g/mol, XLogP of 9.06, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentakis-phenylethylbenzene is sourced from PubChem (CID 519482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).