ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene

C34H46 — CID 90845848

IUPACethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
SMILESCC.CC.CC.CC.Cc1cccc(-c2cccc(-c3cccc(-c4cccc(C)c4)c3)c2)c1
InChIInChI=1S/C26H22.4C2H6/c1-19-7-3-9-21(15-19)23-11-5-13-25(17-23)26-14-6-12-24(18-26)22-10-4-8-20(2)16-22;4*1-2/h3-18H,1-2H3;4*1-2H3
InChIKeyVOPZKVQUBSOAGK-UHFFFAOYSA-N
MW454.74 g/mol
LogP11.41
Rot. Bonds3

About ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene

ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene (PubChem CID 90845848) has the molecular formula C34H46 and a molecular weight of 454.74 g/mol. Its IUPAC name is ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
PubChem CID90845848
Molecular FormulaC34H46
Molecular Weight454.74 g/mol
Exact Mass454.36
IUPAC Nameethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
SMILESCC.CC.CC.CC.Cc1cccc(-c2cccc(-c3cccc(-c4cccc(C)c4)c3)c2)c1
InChIInChI=1S/C26H22.4C2H6/c1-19-7-3-9-21(15-19)23-11-5-13-25(17-23)26-14-6-12-24(18-26)22-10-4-8-20(2)16-22;4*1-2/h3-18H,1-2H3;4*1-2H3
InChIKeyVOPZKVQUBSOAGK-UHFFFAOYSA-N
XLogP11.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.74
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
ethane;1-methyl-3-phenylbenzene
CID 142040878
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
ethane;methane;1-methyl-3-phenylbenzene
CID 144644852
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene?
The IUPAC name of ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene (CID 90845848) is ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene.
What is the SMILES notation for ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene?
The canonical SMILES for ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene is CC.CC.CC.CC.Cc1cccc(-c2cccc(-c3cccc(-c4cccc(C)c4)c3)c2)c1.
What is the InChIKey of ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene?
The InChIKey is VOPZKVQUBSOAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22.4C2H6/c1-19-7-3-9-21(15-19)23-11-5-13-25(17-23)26-14-6-12-24(18-26)22-10-4-8-20(2)16-22;4*1-2/h3-18H,1-2H3;4*1-2H3.
What are the key properties of ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene?
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene has a molecular weight of 454.74 g/mol, XLogP of 11.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene is sourced from PubChem (CID 90845848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).