benzonitrile;platinum(2+);trifluoromethane;bis(triphenylphosphane);tetrafluoroborate

C44H35BF7NP2Pt — CID 10996681

IUPACbenzonitrile;platinum(2+);trifluoromethane;bis(triphenylphosphane);tetrafluoroborate
SMILESF[B-](F)(F)F.F[C-](F)F.N#Cc1ccccc1.[Pt+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C7H5N.CF3.BF4.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-6-7-4-2-1-3-5-7;2-1(3)4;2-1(3,4)5;/h2*1-15H;1-5H;;;/q;;;2*-1;+2
InChIKeyPWNWMBDTPWCAOS-UHFFFAOYSA-N
MW978.60 g/mol
LogP11.09
Rot. Bonds6

About benzonitrile;platinum(2+);trifluoromethane;bis(triphenylphosphane);tetrafluoroborate

benzonitrile;platinum(2+);trifluoromethane;bis(triphenylphosphane);tetrafluoroborate (PubChem CID 10996681) has the molecular formula C44H35BF7NP2Pt and a molecular weight of 978.60 g/mol. Its IUPAC name is benzonitrile;platinum(2+);trifluoromethane;bis(triphenylphosphane);tetrafluoroborate.

Molecular Properties

Compound Namebenzonitrile;platinum(2+);trifluoromethane;bis(triphenylphosphane);tetrafluoroborate
PubChem CID10996681
Molecular FormulaC44H35BF7NP2Pt
Molecular Weight978.60 g/mol
Exact Mass978.19
IUPAC Namebenzonitrile;platinum(2+);trifluoromethane;bis(triphenylphosphane);tetrafluoroborate
SMILESF[B-](F)(F)F.F[C-](F)F.N#Cc1ccccc1.[Pt+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C7H5N.CF3.BF4.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-6-7-4-2-1-3-5-7;2-1(3)4;2-1(3,4)5;/h2*1-15H;1-5H;;;/q;;;2*-1;+2
InChIKeyPWNWMBDTPWCAOS-UHFFFAOYSA-N
XLogP11.09
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500978.60
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze benzonitrile;platinum(2+);trifluoromethane;bis(triphenylphosphane);tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate
CID 11982199
tetrakis(benzonitrile);palladium(2+);ditetrafluoroborate
CID 14290399
bis(benzonitrile);cyclohexa-3,5-diene-1,2-diimine;ruthenium(2+);triphenylphosphane;ditetrafluoroborate;trihydrate
CID 139057867
bis(benzonitrile);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+);ditetrafluoroborate
CID 11320626
tris(triphenylphosphane);tetrafluoroborate
CID 175134442
bis(benzonitrile);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;palladium(2+);ditetrafluoroborate
CID 10866094
(14N)benzonitrile
CID 102268532
carbanide;gold;bis(gold(1+));tetrakis(triphenylphosphane);tetrafluoroborate
CID 134901648
sodium;benzonitrile;hydroxide
CID 174884418
benzonitrile;hydron;fluoride
CID 22022751
tetrakis(benzonitrile);palladium(2+);dichloride
CID 173091067
carbanide;platinum(2+);bis(triphenylphosphane)
CID 11007152

Frequently Asked Questions

What is the IUPAC name of benzonitrile;platinum(2+);trifluoromethane;bis(triphenylphosphane);tetrafluoroborate?
The IUPAC name of benzonitrile;platinum(2+);trifluoromethane;bis(triphenylphosphane);tetrafluoroborate (CID 10996681) is benzonitrile;platinum(2+);trifluoromethane;bis(triphenylphosphane);tetrafluoroborate.
What is the SMILES notation for benzonitrile;platinum(2+);trifluoromethane;bis(triphenylphosphane);tetrafluoroborate?
The canonical SMILES for benzonitrile;platinum(2+);trifluoromethane;bis(triphenylphosphane);tetrafluoroborate is F[B-](F)(F)F.F[C-](F)F.N#Cc1ccccc1.[Pt+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzonitrile;platinum(2+);trifluoromethane;bis(triphenylphosphane);tetrafluoroborate?
The InChIKey is PWNWMBDTPWCAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15P.C7H5N.CF3.BF4.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-6-7-4-2-1-3-5-7;2-1(3)4;2-1(3,4)5;/h2*1-15H;1-5H;;;/q;;;2*-1;+2.
What are the key properties of benzonitrile;platinum(2+);trifluoromethane;bis(triphenylphosphane);tetrafluoroborate?
benzonitrile;platinum(2+);trifluoromethane;bis(triphenylphosphane);tetrafluoroborate has a molecular weight of 978.60 g/mol, XLogP of 11.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzonitrile;platinum(2+);trifluoromethane;bis(triphenylphosphane);tetrafluoroborate is sourced from PubChem (CID 10996681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).