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

C27H26 — CID 142405863

IUPACethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
SMILESCC.Cc1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C25H20.C2H6/c1-19-7-9-21(10-8-19)23-15-17-25(18-16-23)24-13-11-22(12-14-24)20-5-3-2-4-6-20;1-2/h2-18H,1H3;1-2H3
InChIKeyYCTMWNIEVVMSHF-UHFFFAOYSA-N
MW350.51 g/mol
LogP8.02
Rot. Bonds3

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

ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene (PubChem CID 142405863) has the molecular formula C27H26 and a molecular weight of 350.51 g/mol. Its IUPAC name is ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
PubChem CID142405863
Molecular FormulaC27H26
Molecular Weight350.51 g/mol
Exact Mass350.20
IUPAC Nameethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
SMILESCC.Cc1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C25H20.C2H6/c1-19-7-9-21(10-8-19)23-15-17-25(18-16-23)24-13-11-22(12-14-24)20-5-3-2-4-6-20;1-2/h2-18H,1H3;1-2H3
InChIKeyYCTMWNIEVVMSHF-UHFFFAOYSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
benzene;ethane;1-methyl-4-(4-methylphenyl)benzene
CID 161197560
1,1'-biphenyl;toluene
CID 18366440
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
dimethylphosphane;1-methyl-4-phenylbenzene
CID 143300886
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
1-(cyclodecapentaenyl)-5-methylcyclodeca-1,3,5,7,9-pentaene
CID 123859615
buta-1,3-diene;ethane;1-methyl-4-phenylbenzene
CID 143599647
benzene;1,1'-biphenyl;ethane
CID 158550617

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene?
The IUPAC name of ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene (CID 142405863) is ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene.
What is the SMILES notation for ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene?
The canonical SMILES for ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene is CC.Cc1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene?
The InChIKey is YCTMWNIEVVMSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20.C2H6/c1-19-7-9-21(10-8-19)23-15-17-25(18-16-23)24-13-11-22(12-14-24)20-5-3-2-4-6-20;1-2/h2-18H,1H3;1-2H3.
What are the key properties of ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene?
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene has a molecular weight of 350.51 g/mol, XLogP of 8.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene is sourced from PubChem (CID 142405863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).