ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone

C50H64O — CID 159022602

IUPACethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
SMILESCC.CC.CC.CC.CC.CC.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(=O)c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H28O.6C2H6/c1-27-7-9-28(10-8-27)29-11-13-30(14-12-29)31-15-17-32(18-16-31)33-19-21-34(22-20-33)35-23-25-37(26-24-35)38(39)36-5-3-2-4-6-36;6*1-2/h2-26H,1H3;6*1-2H3
InChIKeyJTWRANULUNWFHK-UHFFFAOYSA-N
MW681.06 g/mol
LogP16.05
Rot. Bonds6

About ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone

ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone (PubChem CID 159022602) has the molecular formula C50H64O and a molecular weight of 681.06 g/mol. Its IUPAC name is ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Nameethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
PubChem CID159022602
Molecular FormulaC50H64O
Molecular Weight681.06 g/mol
Exact Mass680.50
IUPAC Nameethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
SMILESCC.CC.CC.CC.CC.CC.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(=O)c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H28O.6C2H6/c1-27-7-9-28(10-8-27)29-11-13-30(14-12-29)31-15-17-32(18-16-31)33-19-21-34(22-20-33)35-23-25-37(26-24-35)38(39)36-5-3-2-4-6-36;6*1-2/h2-26H,1H3;6*1-2H3
InChIKeyJTWRANULUNWFHK-UHFFFAOYSA-N
XLogP16.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.06
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
diphenylmethanone;ethane;toluene
CID 157406780
phenyl-(4-phenylphenyl)methanone
CID 155775877
diphenylmethanone;ethane
CID 158014879
[4-(4-methylbenzenecarbothioyl)phenyl]-phenylmethanone
CID 151070047
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017
(4-methylphenyl)-phenylmethanone;prop-2-enoic acid
CID 175172073
[4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone
CID 11450048
benzoic acid;4-methylbenzoic acid
CID 71272637
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
2-methylbenzene-1,3-dicarboxylic acid;(4-methylphenyl)-phenylmethanone
CID 174815281
boric acid;2,3-dimethylbutane-2,3-diol;(4-methylphenyl)-phenylmethanone
CID 175517764

Frequently Asked Questions

What is the IUPAC name of ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone?
The IUPAC name of ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone (CID 159022602) is ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone.
What is the SMILES notation for ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone?
The canonical SMILES for ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone is CC.CC.CC.CC.CC.CC.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(=O)c6ccccc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone?
The InChIKey is JTWRANULUNWFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28O.6C2H6/c1-27-7-9-28(10-8-27)29-11-13-30(14-12-29)31-15-17-32(18-16-31)33-19-21-34(22-20-33)35-23-25-37(26-24-35)38(39)36-5-3-2-4-6-36;6*1-2/h2-26H,1H3;6*1-2H3.
What are the key properties of ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone?
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone has a molecular weight of 681.06 g/mol, XLogP of 16.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 159022602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).