1,1'-biphenyl;hexadecane

C28H44 — CID 173308514

IUPAC1,1'-biphenyl;hexadecane
SMILESCCCCCCCCCCCCCCCC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H34.C12H10/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3-16H2,1-2H3;1-10H
InChIKeyHNDHPEBOWJZZOJ-UHFFFAOYSA-N
MW380.66 g/mol
LogP9.84
Rot. Bonds14

About 1,1'-biphenyl;hexadecane

1,1'-biphenyl;hexadecane (PubChem CID 173308514) has the molecular formula C28H44 and a molecular weight of 380.66 g/mol. Its IUPAC name is 1,1'-biphenyl;hexadecane.

Molecular Properties

Compound Name1,1'-biphenyl;hexadecane
PubChem CID173308514
Molecular FormulaC28H44
Molecular Weight380.66 g/mol
Exact Mass380.34
IUPAC Name1,1'-biphenyl;hexadecane
SMILESCCCCCCCCCCCCCCCC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H34.C12H10/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3-16H2,1-2H3;1-10H
InChIKeyHNDHPEBOWJZZOJ-UHFFFAOYSA-N
XLogP9.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-pentadecyl-4-phenylbenzene
CID 57166115
1,1'-biphenyl;heptadecan-9-one
CID 19613965
azane;1,1'-biphenyl;butane
CID 155168826
1,1'-biphenyl;1-bromobutane
CID 174623341
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
benzene;heptane;hexane;toluene
CID 160959480
bis(heptane);toluene
CID 157306102
pentane-1-thiol;3-phenylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174451877
2-octylazulene
CID 101406191
ethane;heptane;toluene
CID 145106448
hexakis(decane);ethylbenzene
CID 173398562

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;hexadecane?
The IUPAC name of 1,1'-biphenyl;hexadecane (CID 173308514) is 1,1'-biphenyl;hexadecane.
What is the SMILES notation for 1,1'-biphenyl;hexadecane?
The canonical SMILES for 1,1'-biphenyl;hexadecane is CCCCCCCCCCCCCCCC.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;hexadecane?
The InChIKey is HNDHPEBOWJZZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34.C12H10/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3-16H2,1-2H3;1-10H.
What are the key properties of 1,1'-biphenyl;hexadecane?
1,1'-biphenyl;hexadecane has a molecular weight of 380.66 g/mol, XLogP of 9.84, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;hexadecane is sourced from PubChem (CID 173308514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).