1,1'-biphenyl;ethane;naphthalene

C30H42 — CID 160802649

IUPAC1,1'-biphenyl;ethane;naphthalene
SMILESCC.CC.CC.CC.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1
InChIInChI=1S/C12H10.C10H8.4C2H6/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;4*1-2/h1-10H;1-8H;4*1-2H3
InChIKeySDHBFQRWZZWJPX-UHFFFAOYSA-N
MW402.67 g/mol
LogP10.30
Rot. Bonds1

About 1,1'-biphenyl;ethane;naphthalene

1,1'-biphenyl;ethane;naphthalene (PubChem CID 160802649) has the molecular formula C30H42 and a molecular weight of 402.67 g/mol. Its IUPAC name is 1,1'-biphenyl;ethane;naphthalene.

Molecular Properties

Compound Name1,1'-biphenyl;ethane;naphthalene
PubChem CID160802649
Molecular FormulaC30H42
Molecular Weight402.67 g/mol
Exact Mass402.33
IUPAC Name1,1'-biphenyl;ethane;naphthalene
SMILESCC.CC.CC.CC.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1
InChIInChI=1S/C12H10.C10H8.4C2H6/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;4*1-2/h1-10H;1-8H;4*1-2H3
InChIKeySDHBFQRWZZWJPX-UHFFFAOYSA-N
XLogP10.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.67
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;1,1'-biphenyl;ethane;methane;naphthalene
CID 159154953
CID 172725087
CID 172725087
benzene;1,1'-biphenyl;ethane
CID 158550617
bis(1,1'-biphenyl);ethane;naphthalene;toluene
CID 159439473
1,1'-biphenyl;ethane;naphthalene;1,2,4,5-tetramethylbenzene
CID 161332151
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
benzene;ethane;methane;naphthalene
CID 162063718
benzene;1,1'-biphenyl;ethane;methane
CID 161215689
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
ethane;naphthalene
CID 144512894
1,1'-biphenyl;1,4-diphenylbenzene;ethane;naphthalene;phenanthrene
CID 158841778
benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene
CID 160824127

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;ethane;naphthalene?
The IUPAC name of 1,1'-biphenyl;ethane;naphthalene (CID 160802649) is 1,1'-biphenyl;ethane;naphthalene.
What is the SMILES notation for 1,1'-biphenyl;ethane;naphthalene?
The canonical SMILES for 1,1'-biphenyl;ethane;naphthalene is CC.CC.CC.CC.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.
What is the InChIKey of 1,1'-biphenyl;ethane;naphthalene?
The InChIKey is SDHBFQRWZZWJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C10H8.4C2H6/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;4*1-2/h1-10H;1-8H;4*1-2H3.
What are the key properties of 1,1'-biphenyl;ethane;naphthalene?
1,1'-biphenyl;ethane;naphthalene has a molecular weight of 402.67 g/mol, XLogP of 10.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;ethane;naphthalene is sourced from PubChem (CID 160802649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).