ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene

C29H32 — CID 142439051

IUPACethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
SMILESCC.CC.Cc1cccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C25H20.2C2H6/c1-19-6-5-9-25(18-19)24-16-14-23(15-17-24)22-12-10-21(11-13-22)20-7-3-2-4-8-20;2*1-2/h2-18H,1H3;2*1-2H3
InChIKeyCFEDAVPHNYXOGY-UHFFFAOYSA-N
MW380.58 g/mol
LogP9.05
Rot. Bonds3

About ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene

ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene (PubChem CID 142439051) has the molecular formula C29H32 and a molecular weight of 380.58 g/mol. Its IUPAC name is ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
PubChem CID142439051
Molecular FormulaC29H32
Molecular Weight380.58 g/mol
Exact Mass380.25
IUPAC Nameethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
SMILESCC.CC.Cc1cccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C25H20.2C2H6/c1-19-6-5-9-25(18-19)24-16-14-23(15-17-24)22-12-10-21(11-13-22)20-7-3-2-4-8-20;2*1-2/h2-18H,1H3;2*1-2H3
InChIKeyCFEDAVPHNYXOGY-UHFFFAOYSA-N
XLogP9.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;1-methyl-3-phenylbenzene
CID 142040878
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
ethane;methane;1-methyl-3-phenylbenzene
CID 144644852
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
methanamine;1-methyl-3-phenylbenzene
CID 145414985
ethene;1-methyl-3-phenylbenzene
CID 142622149
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene?
The IUPAC name of ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene (CID 142439051) is ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene.
What is the SMILES notation for ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene?
The canonical SMILES for ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene is CC.CC.Cc1cccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c1.
What is the InChIKey of ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene?
The InChIKey is CFEDAVPHNYXOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20.2C2H6/c1-19-6-5-9-25(18-19)24-16-14-23(15-17-24)22-12-10-21(11-13-22)20-7-3-2-4-8-20;2*1-2/h2-18H,1H3;2*1-2H3.
What are the key properties of ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene?
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene has a molecular weight of 380.58 g/mol, XLogP of 9.05, 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-[4-(4-phenylphenyl)phenyl]benzene is sourced from PubChem (CID 142439051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).