benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene

C69H120 — CID 160824127

IUPACbenzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C13H12.C12H10.C10H8.C6H6.14C2H6/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;14*1-2/h1-10H,11H2;1-10H;1-8H;1-6H;14*1-2H3
InChIKeySFXZUPHNFIHOQP-UHFFFAOYSA-N
MW949.72 g/mol
LogP25.52
Rot. Bonds3

About benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene

benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene (PubChem CID 160824127) has the molecular formula C69H120 and a molecular weight of 949.72 g/mol. Its IUPAC name is benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene.

Molecular Properties

Compound Namebenzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene
PubChem CID160824127
Molecular FormulaC69H120
Molecular Weight949.72 g/mol
Exact Mass948.94
IUPAC Namebenzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C13H12.C12H10.C10H8.C6H6.14C2H6/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;14*1-2/h1-10H,11H2;1-10H;1-8H;1-6H;14*1-2H3
InChIKeySFXZUPHNFIHOQP-UHFFFAOYSA-N
XLogP25.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.72
LogP ≤ 525.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzylbenzene;1,1'-biphenyl;ethane;methane;naphthalene
CID 160690340
1,1'-biphenyl;ethane;naphthalene
CID 160802649
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1,4-dibenzylbenzene;ethane
CID 91406396
benzene;1,1'-biphenyl;ethane;methane;naphthalene
CID 159154953
1,1'-biphenyl;ethylbenzene;naphthalene
CID 163537509
benzylbenzene;ethane;methanamine
CID 54117827
1,4-bis(4-benzylphenyl)benzene
CID 58251041
phenyl(113C)methylbenzene
CID 11194569
benzylbenzene;ethane;methoxymethane
CID 159187560
1,1'-biphenyl;1,4-diphenylbenzene;ethane;naphthalene;phenanthrene
CID 158841778
benzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane
CID 158347647

Frequently Asked Questions

What is the IUPAC name of benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene?
The IUPAC name of benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene (CID 160824127) is benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene.
What is the SMILES notation for benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene?
The canonical SMILES for benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene?
The InChIKey is SFXZUPHNFIHOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.C12H10.C10H8.C6H6.14C2H6/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;14*1-2/h1-10H,11H2;1-10H;1-8H;1-6H;14*1-2H3.
What are the key properties of benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene?
benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene has a molecular weight of 949.72 g/mol, XLogP of 25.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene is sourced from PubChem (CID 160824127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).