1,3-bis(3,5-diphenylphenyl)propan-2-one

C39H30O — CID 15524959

IUPAC1,3-bis(3,5-diphenylphenyl)propan-2-one
SMILESO=C(Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1)Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C39H30O/c40-39(25-29-21-35(31-13-5-1-6-14-31)27-36(22-29)32-15-7-2-8-16-32)26-30-23-37(33-17-9-3-10-18-33)28-38(24-30)34-19-11-4-12-20-34/h1-24,27-28H,25-26H2
InChIKeyZXCNORZNGPANRS-UHFFFAOYSA-N
MW514.67 g/mol
LogP9.71
Rot. Bonds8

About 1,3-bis(3,5-diphenylphenyl)propan-2-one

1,3-bis(3,5-diphenylphenyl)propan-2-one (PubChem CID 15524959) has the molecular formula C39H30O and a molecular weight of 514.67 g/mol. Its IUPAC name is 1,3-bis(3,5-diphenylphenyl)propan-2-one.

Molecular Properties

Compound Name1,3-bis(3,5-diphenylphenyl)propan-2-one
PubChem CID15524959
Molecular FormulaC39H30O
Molecular Weight514.67 g/mol
Exact Mass514.23
IUPAC Name1,3-bis(3,5-diphenylphenyl)propan-2-one
SMILESO=C(Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1)Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C39H30O/c40-39(25-29-21-35(31-13-5-1-6-14-31)27-36(22-29)32-15-7-2-8-16-32)26-30-23-37(33-17-9-3-10-18-33)28-38(24-30)34-19-11-4-12-20-34/h1-24,27-28H,25-26H2
InChIKeyZXCNORZNGPANRS-UHFFFAOYSA-N
XLogP9.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3,5-diphenylphenyl)propan-2-one?
The IUPAC name of 1,3-bis(3,5-diphenylphenyl)propan-2-one (CID 15524959) is 1,3-bis(3,5-diphenylphenyl)propan-2-one.
What is the SMILES notation for 1,3-bis(3,5-diphenylphenyl)propan-2-one?
The canonical SMILES for 1,3-bis(3,5-diphenylphenyl)propan-2-one is O=C(Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1)Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of 1,3-bis(3,5-diphenylphenyl)propan-2-one?
The InChIKey is ZXCNORZNGPANRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30O/c40-39(25-29-21-35(31-13-5-1-6-14-31)27-36(22-29)32-15-7-2-8-16-32)26-30-23-37(33-17-9-3-10-18-33)28-38(24-30)34-19-11-4-12-20-34/h1-24,27-28H,25-26H2.
What are the key properties of 1,3-bis(3,5-diphenylphenyl)propan-2-one?
1,3-bis(3,5-diphenylphenyl)propan-2-one has a molecular weight of 514.67 g/mol, XLogP of 9.71, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3,5-diphenylphenyl)propan-2-one is sourced from PubChem (CID 15524959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).