[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone

C45H48O3 — CID 3766004

IUPAC[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
SMILESO=C(c1ccc(C2CCCCC2)cc1)c1cc(C(=O)c2ccc(C3CCCCC3)cc2)cc(C(=O)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C45H48O3/c46-43(37-22-16-34(17-23-37)31-10-4-1-5-11-31)40-28-41(44(47)38-24-18-35(19-25-38)32-12-6-2-7-13-32)30-42(29-40)45(48)39-26-20-36(21-27-39)33-14-8-3-9-15-33/h16-33H,1-15H2
InChIKeyPDTLEOIBTRZVQV-UHFFFAOYSA-N
MW636.88 g/mol
LogP11.52
Rot. Bonds9

About [3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone

[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone (PubChem CID 3766004) has the molecular formula C45H48O3 and a molecular weight of 636.88 g/mol. Its IUPAC name is [3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone.

Molecular Properties

Compound Name[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
PubChem CID3766004
Molecular FormulaC45H48O3
Molecular Weight636.88 g/mol
Exact Mass636.36
IUPAC Name[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
SMILESO=C(c1ccc(C2CCCCC2)cc1)c1cc(C(=O)c2ccc(C3CCCCC3)cc2)cc(C(=O)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C45H48O3/c46-43(37-22-16-34(17-23-37)31-10-4-1-5-11-31)40-28-41(44(47)38-24-18-35(19-25-38)32-12-6-2-7-13-32)30-42(29-40)45(48)39-26-20-36(21-27-39)33-14-8-3-9-15-33/h16-33H,1-15H2
InChIKeyPDTLEOIBTRZVQV-UHFFFAOYSA-N
XLogP11.52
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.88
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-(4-cyclohexylphenyl)methanone
CID 43338426
(4-cyclohexylphenyl)-pyridin-4-ylmethanone
CID 43160506
(5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone
CID 43338411
(3-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone
CID 116597248
2-(4-cyclohexylphenyl)-2-oxoacetyl chloride
CID 11107786
2-bromo-1-(4-cyclohexylphenyl)ethanone
CID 2756899
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
(5-chlorofuran-2-yl)-(4-cyclohexylphenyl)methanone
CID 106683716
2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide
CID 94281370
(4-cyclobutylphenyl)-(2-methyl-4-pyridinyl)methanone
CID 106754787
1-(4-cyclohexylphenyl)-2-[2-(4-cyclohexylphenyl)-1-hydroxy-2-oxoethoxy]-2-hydroxyethanone
CID 19261549
(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone?
The IUPAC name of [3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone (CID 3766004) is [3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone.
What is the SMILES notation for [3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone?
The canonical SMILES for [3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone is O=C(c1ccc(C2CCCCC2)cc1)c1cc(C(=O)c2ccc(C3CCCCC3)cc2)cc(C(=O)c2ccc(C3CCCCC3)cc2)c1.
What is the InChIKey of [3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone?
The InChIKey is PDTLEOIBTRZVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H48O3/c46-43(37-22-16-34(17-23-37)31-10-4-1-5-11-31)40-28-41(44(47)38-24-18-35(19-25-38)32-12-6-2-7-13-32)30-42(29-40)45(48)39-26-20-36(21-27-39)33-14-8-3-9-15-33/h16-33H,1-15H2.
What are the key properties of [3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone?
[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone has a molecular weight of 636.88 g/mol, XLogP of 11.52, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone is sourced from PubChem (CID 3766004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).