benzene;1,1'-biphenyl;ethane;methane

C33H62 — CID 161215689

IUPACbenzene;1,1'-biphenyl;ethane;methane
SMILESC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C12H10.C6H6.7C2H6.CH4/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1;7*1-2;/h1-10H;1-6H;7*1-2H3;1H4
InChIKeyUWVGGYWOOBMXDT-UHFFFAOYSA-N
MW458.86 g/mol
LogP12.86
Rot. Bonds1

About benzene;1,1'-biphenyl;ethane;methane

benzene;1,1'-biphenyl;ethane;methane (PubChem CID 161215689) has the molecular formula C33H62 and a molecular weight of 458.86 g/mol. Its IUPAC name is benzene;1,1'-biphenyl;ethane;methane.

Molecular Properties

Compound Namebenzene;1,1'-biphenyl;ethane;methane
PubChem CID161215689
Molecular FormulaC33H62
Molecular Weight458.86 g/mol
Exact Mass458.49
IUPAC Namebenzene;1,1'-biphenyl;ethane;methane
SMILESC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C12H10.C6H6.7C2H6.CH4/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1;7*1-2;/h1-10H;1-6H;7*1-2H3;1H4
InChIKeyUWVGGYWOOBMXDT-UHFFFAOYSA-N
XLogP12.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.86
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;1,1'-biphenyl;ethane
CID 158550617
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;bis(1,1'-biphenyl);methane
CID 158742993
benzene;1,1'-biphenyl;ethane;methane;naphthalene
CID 159154953
1,3-diphenylbenzene;ethane;methane
CID 171489435
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
benzene;tris(1,1'-biphenyl)
CID 162155747
ethane;1,3,5-triphenylbenzene
CID 142123051
1,1'-biphenyl;ethane;naphthalene
CID 160802649
1,4-diphenylbenzene;ethane;methanamine
CID 168951795
CID 162140615
CID 162140615

Frequently Asked Questions

What is the IUPAC name of benzene;1,1'-biphenyl;ethane;methane?
The IUPAC name of benzene;1,1'-biphenyl;ethane;methane (CID 161215689) is benzene;1,1'-biphenyl;ethane;methane.
What is the SMILES notation for benzene;1,1'-biphenyl;ethane;methane?
The canonical SMILES for benzene;1,1'-biphenyl;ethane;methane is C.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2ccccc2)cc1.c1ccccc1.
What is the InChIKey of benzene;1,1'-biphenyl;ethane;methane?
The InChIKey is UWVGGYWOOBMXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C6H6.7C2H6.CH4/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1;7*1-2;/h1-10H;1-6H;7*1-2H3;1H4.
What are the key properties of benzene;1,1'-biphenyl;ethane;methane?
benzene;1,1'-biphenyl;ethane;methane has a molecular weight of 458.86 g/mol, XLogP of 12.86, 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;methane is sourced from PubChem (CID 161215689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).