bis[2-methyl-4-(4-methylphenyl)phenyl]methanone;ethane;bis(1-methyl-2-(2-methylphenyl)benzene)

C63H72O — CID 145444685

IUPACbis[2-methyl-4-(4-methylphenyl)phenyl]methanone;ethane;bis(1-methyl-2-(2-methylphenyl)benzene)
SMILESCC.CC.CC.Cc1ccc(-c2ccc(C(=O)c3ccc(-c4ccc(C)cc4)cc3C)c(C)c2)cc1.Cc1ccccc1-c1ccccc1C.Cc1ccccc1-c1ccccc1C
InChIInChI=1S/C29H26O.2C14H14.3C2H6/c1-19-5-9-23(10-6-19)25-13-15-27(21(3)17-25)29(30)28-16-14-26(18-22(28)4)24-11-7-20(2)8-12-24;2*1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;3*1-2/h5-18H,1-4H3;2*3-10H,1-2H3;3*1-2H3
InChIKeyARUPSBZIBAVCSV-UHFFFAOYSA-N
MW845.27 g/mol
LogP18.50
Rot. Bonds6

About bis[2-methyl-4-(4-methylphenyl)phenyl]methanone;ethane;bis(1-methyl-2-(2-methylphenyl)benzene)

bis[2-methyl-4-(4-methylphenyl)phenyl]methanone;ethane;bis(1-methyl-2-(2-methylphenyl)benzene) (PubChem CID 145444685) has the molecular formula C63H72O and a molecular weight of 845.27 g/mol. Its IUPAC name is bis[2-methyl-4-(4-methylphenyl)phenyl]methanone;ethane;bis(1-methyl-2-(2-methylphenyl)benzene).

Molecular Properties

Compound Namebis[2-methyl-4-(4-methylphenyl)phenyl]methanone;ethane;bis(1-methyl-2-(2-methylphenyl)benzene)
PubChem CID145444685
Molecular FormulaC63H72O
Molecular Weight845.27 g/mol
Exact Mass844.56
IUPAC Namebis[2-methyl-4-(4-methylphenyl)phenyl]methanone;ethane;bis(1-methyl-2-(2-methylphenyl)benzene)
SMILESCC.CC.CC.Cc1ccc(-c2ccc(C(=O)c3ccc(-c4ccc(C)cc4)cc3C)c(C)c2)cc1.Cc1ccccc1-c1ccccc1C.Cc1ccccc1-c1ccccc1C
InChIInChI=1S/C29H26O.2C14H14.3C2H6/c1-19-5-9-23(10-6-19)25-13-15-27(21(3)17-25)29(30)28-16-14-26(18-22(28)4)24-11-7-20(2)8-12-24;2*1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;3*1-2/h5-18H,1-4H3;2*3-10H,1-2H3;3*1-2H3
InChIKeyARUPSBZIBAVCSV-UHFFFAOYSA-N
XLogP18.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.27
LogP ≤ 518.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone
CID 171716642
1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone
CID 20716213
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
1-methyl-2-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892346
2-methyl-4-phenylbenzoate
CID 21114953
1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;ethane;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene
CID 158847391
methane;1-methyl-2-(2-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 158386869
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419

Frequently Asked Questions

What is the IUPAC name of bis[2-methyl-4-(4-methylphenyl)phenyl]methanone;ethane;bis(1-methyl-2-(2-methylphenyl)benzene)?
The IUPAC name of bis[2-methyl-4-(4-methylphenyl)phenyl]methanone;ethane;bis(1-methyl-2-(2-methylphenyl)benzene) (CID 145444685) is bis[2-methyl-4-(4-methylphenyl)phenyl]methanone;ethane;bis(1-methyl-2-(2-methylphenyl)benzene).
What is the SMILES notation for bis[2-methyl-4-(4-methylphenyl)phenyl]methanone;ethane;bis(1-methyl-2-(2-methylphenyl)benzene)?
The canonical SMILES for bis[2-methyl-4-(4-methylphenyl)phenyl]methanone;ethane;bis(1-methyl-2-(2-methylphenyl)benzene) is CC.CC.CC.Cc1ccc(-c2ccc(C(=O)c3ccc(-c4ccc(C)cc4)cc3C)c(C)c2)cc1.Cc1ccccc1-c1ccccc1C.Cc1ccccc1-c1ccccc1C.
What is the InChIKey of bis[2-methyl-4-(4-methylphenyl)phenyl]methanone;ethane;bis(1-methyl-2-(2-methylphenyl)benzene)?
The InChIKey is ARUPSBZIBAVCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O.2C14H14.3C2H6/c1-19-5-9-23(10-6-19)25-13-15-27(21(3)17-25)29(30)28-16-14-26(18-22(28)4)24-11-7-20(2)8-12-24;2*1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;3*1-2/h5-18H,1-4H3;2*3-10H,1-2H3;3*1-2H3.
What are the key properties of bis[2-methyl-4-(4-methylphenyl)phenyl]methanone;ethane;bis(1-methyl-2-(2-methylphenyl)benzene)?
bis[2-methyl-4-(4-methylphenyl)phenyl]methanone;ethane;bis(1-methyl-2-(2-methylphenyl)benzene) has a molecular weight of 845.27 g/mol, XLogP of 18.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-methyl-4-(4-methylphenyl)phenyl]methanone;ethane;bis(1-methyl-2-(2-methylphenyl)benzene) is sourced from PubChem (CID 145444685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).