1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone

C34H26O2 — CID 25259117

IUPAC1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccccc2-c2ccc(-c3ccccc3-c3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C34H26O2/c1-23(35)25-11-15-27(16-12-25)31-7-3-5-9-33(31)29-19-21-30(22-20-29)34-10-6-4-8-32(34)28-17-13-26(14-18-28)24(2)36/h3-22H,1-2H3
InChIKeyLDWLBGGWXDGHQS-UHFFFAOYSA-N
MW466.58 g/mol
LogP8.76
Rot. Bonds6

About 1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone

1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone (PubChem CID 25259117) has the molecular formula C34H26O2 and a molecular weight of 466.58 g/mol. Its IUPAC name is 1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
PubChem CID25259117
Molecular FormulaC34H26O2
Molecular Weight466.58 g/mol
Exact Mass466.19
IUPAC Name1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccccc2-c2ccc(-c3ccccc3-c3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C34H26O2/c1-23(35)25-11-15-27(16-12-25)31-7-3-5-9-33(31)29-19-21-30(22-20-29)34-10-6-4-8-32(34)28-17-13-26(14-18-28)24(2)36/h3-22H,1-2H3
InChIKeyLDWLBGGWXDGHQS-UHFFFAOYSA-N
XLogP8.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-acetylphenyl)phenyl]ethanone
CID 11207145
1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone
CID 141053686
1-[4-[2-(chloromethyl)phenyl]phenyl]ethanone
CID 135075910
1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
CID 23629162
4-[2-[2,4,5-tris[2-(4-acetylphenyl)phenyl]phenyl]phenyl]benzaldehyde
CID 59789089
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
1-[4-(2-ethoxyphenyl)phenyl]ethanone
CID 62801533
1-[4-(4-acetylnaphthalen-1-yl)phenyl]ethanone
CID 58315812
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017
1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone
CID 24786462
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone (CID 25259117) is 1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone is CC(=O)c1ccc(-c2ccccc2-c2ccc(-c3ccccc3-c3ccc(C(C)=O)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone?
The InChIKey is LDWLBGGWXDGHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26O2/c1-23(35)25-11-15-27(16-12-25)31-7-3-5-9-33(31)29-19-21-30(22-20-29)34-10-6-4-8-32(34)28-17-13-26(14-18-28)24(2)36/h3-22H,1-2H3.
What are the key properties of 1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone?
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone has a molecular weight of 466.58 g/mol, XLogP of 8.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone is sourced from PubChem (CID 25259117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).