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

C39H58 — CID 159154953

IUPACbenzene;1,1'-biphenyl;ethane;methane;naphthalene
SMILESC.CC.CC.CC.CC.CC.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C12H10.C10H8.C6H6.5C2H6.CH4/c1-3-7-11(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;5*1-2;/h1-10H;1-8H;1-6H;5*1-2H3;1H4
InChIKeyKJTPZFBPFPVWPN-UHFFFAOYSA-N
MW526.89 g/mol
LogP13.65
Rot. Bonds1

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

benzene;1,1'-biphenyl;ethane;methane;naphthalene (PubChem CID 159154953) has the molecular formula C39H58 and a molecular weight of 526.89 g/mol. Its IUPAC name is benzene;1,1'-biphenyl;ethane;methane;naphthalene.

Molecular Properties

Compound Namebenzene;1,1'-biphenyl;ethane;methane;naphthalene
PubChem CID159154953
Molecular FormulaC39H58
Molecular Weight526.89 g/mol
Exact Mass526.45
IUPAC Namebenzene;1,1'-biphenyl;ethane;methane;naphthalene
SMILESC.CC.CC.CC.CC.CC.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C12H10.C10H8.C6H6.5C2H6.CH4/c1-3-7-11(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;5*1-2;/h1-10H;1-8H;1-6H;5*1-2H3;1H4
InChIKeyKJTPZFBPFPVWPN-UHFFFAOYSA-N
XLogP13.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.89
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1'-biphenyl;ethane;naphthalene
CID 160802649
benzene;ethane;methane;naphthalene
CID 162063718
benzene;1,1'-biphenyl;ethane;methane
CID 161215689
CID 172725087
CID 172725087
benzene;1,1'-biphenyl;ethane
CID 158550617
bis(1,1'-biphenyl);ethane;naphthalene;toluene
CID 159439473
benzylbenzene;1,1'-biphenyl;ethane;methane;naphthalene
CID 160690340
1,1'-biphenyl;ethane;naphthalene;1,2,4,5-tetramethylbenzene
CID 161332151
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
ethane;naphthalene
CID 144512894

Frequently Asked Questions

What is the IUPAC name of benzene;1,1'-biphenyl;ethane;methane;naphthalene?
The IUPAC name of benzene;1,1'-biphenyl;ethane;methane;naphthalene (CID 159154953) is benzene;1,1'-biphenyl;ethane;methane;naphthalene.
What is the SMILES notation for benzene;1,1'-biphenyl;ethane;methane;naphthalene?
The canonical SMILES for benzene;1,1'-biphenyl;ethane;methane;naphthalene is C.CC.CC.CC.CC.CC.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of benzene;1,1'-biphenyl;ethane;methane;naphthalene?
The InChIKey is KJTPZFBPFPVWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C10H8.C6H6.5C2H6.CH4/c1-3-7-11(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;5*1-2;/h1-10H;1-8H;1-6H;5*1-2H3;1H4.
What are the key properties of benzene;1,1'-biphenyl;ethane;methane;naphthalene?
benzene;1,1'-biphenyl;ethane;methane;naphthalene has a molecular weight of 526.89 g/mol, XLogP of 13.65, 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;naphthalene is sourced from PubChem (CID 159154953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).