benzene;1,1'-biphenyl;ethane

C28H46 — CID 158550617

IUPACbenzene;1,1'-biphenyl;ethane
SMILESCC.CC.CC.CC.CC.c1ccc(-c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C12H10.C6H6.5C2H6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1;5*1-2/h1-10H;1-6H;5*1-2H3
InChIKeyHPRBSODZKBLALP-UHFFFAOYSA-N
MW382.68 g/mol
LogP10.17
Rot. Bonds1

About benzene;1,1'-biphenyl;ethane

benzene;1,1'-biphenyl;ethane (PubChem CID 158550617) has the molecular formula C28H46 and a molecular weight of 382.68 g/mol. Its IUPAC name is benzene;1,1'-biphenyl;ethane.

Molecular Properties

Compound Namebenzene;1,1'-biphenyl;ethane
PubChem CID158550617
Molecular FormulaC28H46
Molecular Weight382.68 g/mol
Exact Mass382.36
IUPAC Namebenzene;1,1'-biphenyl;ethane
SMILESCC.CC.CC.CC.CC.c1ccc(-c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C12H10.C6H6.5C2H6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1;5*1-2/h1-10H;1-6H;5*1-2H3
InChIKeyHPRBSODZKBLALP-UHFFFAOYSA-N
XLogP10.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1'-biphenyl;ethane;hydrobromide
CID 90342014
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
benzene;1,1'-biphenyl;ethane;methane
CID 161215689
benzene;tris(1,1'-biphenyl)
CID 162155747
ethane;1,3,5-triphenylbenzene
CID 142123051
1,4-diphenylbenzene;ethane;methanamine
CID 168951795
1,1'-biphenyl;ethane;naphthalene
CID 160802649
1,1'-biphenyl;hydrofluoride
CID 67516975
1,1'-biphenyl;mercury
CID 67099988
CID 53446764
CID 53446764
CID 162140615
CID 162140615
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364

Frequently Asked Questions

What is the IUPAC name of benzene;1,1'-biphenyl;ethane?
The IUPAC name of benzene;1,1'-biphenyl;ethane (CID 158550617) is benzene;1,1'-biphenyl;ethane.
What is the SMILES notation for benzene;1,1'-biphenyl;ethane?
The canonical SMILES for benzene;1,1'-biphenyl;ethane is CC.CC.CC.CC.CC.c1ccc(-c2ccccc2)cc1.c1ccccc1.
What is the InChIKey of benzene;1,1'-biphenyl;ethane?
The InChIKey is HPRBSODZKBLALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C6H6.5C2H6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1;5*1-2/h1-10H;1-6H;5*1-2H3.
What are the key properties of benzene;1,1'-biphenyl;ethane?
benzene;1,1'-biphenyl;ethane has a molecular weight of 382.68 g/mol, XLogP of 10.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,1'-biphenyl;ethane is sourced from PubChem (CID 158550617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).