1,1'-biphenyl;bis(N,N-dimethylmethanesulfonamide);methane;naphthalene;bis(tridecane)

C58H108N2O4S2 — CID 158984698

IUPAC1,1'-biphenyl;bis(N,N-dimethylmethanesulfonamide);methane;naphthalene;bis(tridecane)
SMILESC.C.C.C.CCCCCCCCCCCCC.CCCCCCCCCCCCC.CN(C)S(C)(=O)=O.CN(C)S(C)(=O)=O.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1
InChIInChI=1S/2C13H28.C12H10.C10H8.2C3H9NO2S.4CH4/c2*1-3-5-7-9-11-13-12-10-8-6-4-2;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;2*1-4(2)7(3,5)6;;;;/h2*3-13H2,1-2H3;1-10H;1-8H;2*1-3H3;4*1H4
InChIKeyJPKVOFVPVTZOFJ-UHFFFAOYSA-N
MW961.65 g/mol
LogP18.39
Rot. Bonds23

About 1,1'-biphenyl;bis(N,N-dimethylmethanesulfonamide);methane;naphthalene;bis(tridecane)

1,1'-biphenyl;bis(N,N-dimethylmethanesulfonamide);methane;naphthalene;bis(tridecane) (PubChem CID 158984698) has the molecular formula C58H108N2O4S2 and a molecular weight of 961.65 g/mol. Its IUPAC name is 1,1'-biphenyl;bis(N,N-dimethylmethanesulfonamide);methane;naphthalene;bis(tridecane).

Molecular Properties

Compound Name1,1'-biphenyl;bis(N,N-dimethylmethanesulfonamide);methane;naphthalene;bis(tridecane)
PubChem CID158984698
Molecular FormulaC58H108N2O4S2
Molecular Weight961.65 g/mol
Exact Mass960.78
IUPAC Name1,1'-biphenyl;bis(N,N-dimethylmethanesulfonamide);methane;naphthalene;bis(tridecane)
SMILESC.C.C.C.CCCCCCCCCCCCC.CCCCCCCCCCCCC.CN(C)S(C)(=O)=O.CN(C)S(C)(=O)=O.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1
InChIInChI=1S/2C13H28.C12H10.C10H8.2C3H9NO2S.4CH4/c2*1-3-5-7-9-11-13-12-10-8-6-4-2;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;2*1-4(2)7(3,5)6;;;;/h2*3-13H2,1-2H3;1-10H;1-8H;2*1-3H3;4*1H4
InChIKeyJPKVOFVPVTZOFJ-UHFFFAOYSA-N
XLogP18.39
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.65
LogP ≤ 518.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 157061863
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CID 173308514
1,1'-biphenyl;N,N-dimethylmethanesulfonamide;N,N-dimethylpropanamide
CID 90963668
N,N-dimethylmethanesulfonamide;ethane;hexane
CID 91522077
1-hexylsulfonyl-4-phenylbenzene
CID 69120078
1,1'-biphenyl;dodecyl hydrogen sulfate
CID 158991543
benzene;1,1'-biphenyl;ethane;methane;naphthalene
CID 159154953
1,1'-biphenyl;heptadecan-9-one
CID 19613965
benzene;N-octyl-N-phenylnaphthalen-2-amine
CID 174859594
N-benzyl-N-[(Z)-1-chloro-2-prop-2-enylundec-1-enyl]methanesulfonamide
CID 56648807
naphthalene;octan-1-ol
CID 90016891
benzene;N,N-dimethylmethanesulfonamide;ethane
CID 91013702

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;bis(N,N-dimethylmethanesulfonamide);methane;naphthalene;bis(tridecane)?
The IUPAC name of 1,1'-biphenyl;bis(N,N-dimethylmethanesulfonamide);methane;naphthalene;bis(tridecane) (CID 158984698) is 1,1'-biphenyl;bis(N,N-dimethylmethanesulfonamide);methane;naphthalene;bis(tridecane).
What is the SMILES notation for 1,1'-biphenyl;bis(N,N-dimethylmethanesulfonamide);methane;naphthalene;bis(tridecane)?
The canonical SMILES for 1,1'-biphenyl;bis(N,N-dimethylmethanesulfonamide);methane;naphthalene;bis(tridecane) is C.C.C.C.CCCCCCCCCCCCC.CCCCCCCCCCCCC.CN(C)S(C)(=O)=O.CN(C)S(C)(=O)=O.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.
What is the InChIKey of 1,1'-biphenyl;bis(N,N-dimethylmethanesulfonamide);methane;naphthalene;bis(tridecane)?
The InChIKey is JPKVOFVPVTZOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H28.C12H10.C10H8.2C3H9NO2S.4CH4/c2*1-3-5-7-9-11-13-12-10-8-6-4-2;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;2*1-4(2)7(3,5)6;;;;/h2*3-13H2,1-2H3;1-10H;1-8H;2*1-3H3;4*1H4.
What are the key properties of 1,1'-biphenyl;bis(N,N-dimethylmethanesulfonamide);methane;naphthalene;bis(tridecane)?
1,1'-biphenyl;bis(N,N-dimethylmethanesulfonamide);methane;naphthalene;bis(tridecane) has a molecular weight of 961.65 g/mol, XLogP of 18.39, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;bis(N,N-dimethylmethanesulfonamide);methane;naphthalene;bis(tridecane) is sourced from PubChem (CID 158984698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).