2,2,3,3,4,4-hexakis-phenylcyclopentan-1-one

C41H32O — CID 90108464

IUPAC2,2,3,3,4,4-hexakis-phenylcyclopentan-1-one
SMILESO=C1CC(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H32O/c42-38-31-39(32-19-7-1-8-20-32,33-21-9-2-10-22-33)41(36-27-15-5-16-28-36,37-29-17-6-18-30-37)40(38,34-23-11-3-12-24-34)35-25-13-4-14-26-35/h1-30H,31H2
InChIKeyDLXAFEFGVCIREL-UHFFFAOYSA-N
MW540.71 g/mol
LogP8.92
Rot. Bonds6

About 2,2,3,3,4,4-hexakis-phenylcyclopentan-1-one

2,2,3,3,4,4-hexakis-phenylcyclopentan-1-one (PubChem CID 90108464) has the molecular formula C41H32O and a molecular weight of 540.71 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexakis-phenylcyclopentan-1-one.

Molecular Properties

Compound Name2,2,3,3,4,4-hexakis-phenylcyclopentan-1-one
PubChem CID90108464
Molecular FormulaC41H32O
Molecular Weight540.71 g/mol
Exact Mass540.25
IUPAC Name2,2,3,3,4,4-hexakis-phenylcyclopentan-1-one
SMILESO=C1CC(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H32O/c42-38-31-39(32-19-7-1-8-20-32,33-21-9-2-10-22-33)41(36-27-15-5-16-28-36,37-29-17-6-18-30-37)40(38,34-23-11-3-12-24-34)35-25-13-4-14-26-35/h1-30H,31H2
InChIKeyDLXAFEFGVCIREL-UHFFFAOYSA-N
XLogP8.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexakis-phenylcyclopentan-1-one?
The IUPAC name of 2,2,3,3,4,4-hexakis-phenylcyclopentan-1-one (CID 90108464) is 2,2,3,3,4,4-hexakis-phenylcyclopentan-1-one.
What is the SMILES notation for 2,2,3,3,4,4-hexakis-phenylcyclopentan-1-one?
The canonical SMILES for 2,2,3,3,4,4-hexakis-phenylcyclopentan-1-one is O=C1CC(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2,3,3,4,4-hexakis-phenylcyclopentan-1-one?
The InChIKey is DLXAFEFGVCIREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32O/c42-38-31-39(32-19-7-1-8-20-32,33-21-9-2-10-22-33)41(36-27-15-5-16-28-36,37-29-17-6-18-30-37)40(38,34-23-11-3-12-24-34)35-25-13-4-14-26-35/h1-30H,31H2.
What are the key properties of 2,2,3,3,4,4-hexakis-phenylcyclopentan-1-one?
2,2,3,3,4,4-hexakis-phenylcyclopentan-1-one has a molecular weight of 540.71 g/mol, XLogP of 8.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexakis-phenylcyclopentan-1-one is sourced from PubChem (CID 90108464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).