10-(4-phenylphenyl)-2-propan-2-yl-10H-anthracen-9-one

C29H24O — CID 145450986

IUPAC10-(4-phenylphenyl)-2-propan-2-yl-10H-anthracen-9-one
SMILESCC(C)c1ccc2c(c1)C(=O)c1ccccc1C2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H24O/c1-19(2)23-16-17-25-27(18-23)29(30)26-11-7-6-10-24(26)28(25)22-14-12-21(13-15-22)20-8-4-3-5-9-20/h3-19,28H,1-2H3
InChIKeyYVCUWFDYZHUKRK-UHFFFAOYSA-N
MW388.51 g/mol
LogP7.20
Rot. Bonds3

About 10-(4-phenylphenyl)-2-propan-2-yl-10H-anthracen-9-one

10-(4-phenylphenyl)-2-propan-2-yl-10H-anthracen-9-one (PubChem CID 145450986) has the molecular formula C29H24O and a molecular weight of 388.51 g/mol. Its IUPAC name is 10-(4-phenylphenyl)-2-propan-2-yl-10H-anthracen-9-one.

Molecular Properties

Compound Name10-(4-phenylphenyl)-2-propan-2-yl-10H-anthracen-9-one
PubChem CID145450986
Molecular FormulaC29H24O
Molecular Weight388.51 g/mol
Exact Mass388.18
IUPAC Name10-(4-phenylphenyl)-2-propan-2-yl-10H-anthracen-9-one
SMILESCC(C)c1ccc2c(c1)C(=O)c1ccccc1C2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H24O/c1-19(2)23-16-17-25-27(18-23)29(30)26-11-7-6-10-24(26)28(25)22-14-12-21(13-15-22)20-8-4-3-5-9-20/h3-19,28H,1-2H3
InChIKeyYVCUWFDYZHUKRK-UHFFFAOYSA-N
XLogP7.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-(4-phenylphenyl)-2-propan-2-yl-10H-anthracen-9-one?
The IUPAC name of 10-(4-phenylphenyl)-2-propan-2-yl-10H-anthracen-9-one (CID 145450986) is 10-(4-phenylphenyl)-2-propan-2-yl-10H-anthracen-9-one.
What is the SMILES notation for 10-(4-phenylphenyl)-2-propan-2-yl-10H-anthracen-9-one?
The canonical SMILES for 10-(4-phenylphenyl)-2-propan-2-yl-10H-anthracen-9-one is CC(C)c1ccc2c(c1)C(=O)c1ccccc1C2c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 10-(4-phenylphenyl)-2-propan-2-yl-10H-anthracen-9-one?
The InChIKey is YVCUWFDYZHUKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O/c1-19(2)23-16-17-25-27(18-23)29(30)26-11-7-6-10-24(26)28(25)22-14-12-21(13-15-22)20-8-4-3-5-9-20/h3-19,28H,1-2H3.
What are the key properties of 10-(4-phenylphenyl)-2-propan-2-yl-10H-anthracen-9-one?
10-(4-phenylphenyl)-2-propan-2-yl-10H-anthracen-9-one has a molecular weight of 388.51 g/mol, XLogP of 7.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-phenylphenyl)-2-propan-2-yl-10H-anthracen-9-one is sourced from PubChem (CID 145450986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).