bis(2-[(dipyridin-2-ylamino)methyl]benzonitrile);platinum(2+);bis(trifluoromethanesulfonate);dihydrate

C38H32F6N8O8PtS2 — CID 139174364

IUPACbis(2-[(dipyridin-2-ylamino)methyl]benzonitrile);platinum(2+);bis(trifluoromethanesulfonate);dihydrate
SMILESN#Cc1ccccc1CN(c1ccccn1)c1ccccn1.N#Cc1ccccc1CN(c1ccccn1)c1ccccn1.O.O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pt+2]
InChIInChI=1S/2C18H14N4.2CHF3O3S.2H2O.Pt/c2*19-13-15-7-1-2-8-16(15)14-22(17-9-3-5-11-20-17)18-10-4-6-12-21-18;2*2-1(3,4)8(5,6)7;;;/h2*1-12H,14H2;2*(H,5,6,7);2*1H2;/q;;;;;;+2/p-2
InChIKeyDEWYLRMQUCIHRS-UHFFFAOYSA-L
MW1101.92 g/mol
LogP5.82
Rot. Bonds8

About bis(2-[(dipyridin-2-ylamino)methyl]benzonitrile);platinum(2+);bis(trifluoromethanesulfonate);dihydrate

bis(2-[(dipyridin-2-ylamino)methyl]benzonitrile);platinum(2+);bis(trifluoromethanesulfonate);dihydrate (PubChem CID 139174364) has the molecular formula C38H32F6N8O8PtS2 and a molecular weight of 1101.92 g/mol. Its IUPAC name is bis(2-[(dipyridin-2-ylamino)methyl]benzonitrile);platinum(2+);bis(trifluoromethanesulfonate);dihydrate.

Molecular Properties

Compound Namebis(2-[(dipyridin-2-ylamino)methyl]benzonitrile);platinum(2+);bis(trifluoromethanesulfonate);dihydrate
PubChem CID139174364
Molecular FormulaC38H32F6N8O8PtS2
Molecular Weight1101.92 g/mol
Exact Mass1101.13
IUPAC Namebis(2-[(dipyridin-2-ylamino)methyl]benzonitrile);platinum(2+);bis(trifluoromethanesulfonate);dihydrate
SMILESN#Cc1ccccc1CN(c1ccccn1)c1ccccn1.N#Cc1ccccc1CN(c1ccccn1)c1ccccn1.O.O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pt+2]
InChIInChI=1S/2C18H14N4.2CHF3O3S.2H2O.Pt/c2*19-13-15-7-1-2-8-16(15)14-22(17-9-3-5-11-20-17)18-10-4-6-12-21-18;2*2-1(3,4)8(5,6)7;;;/h2*1-12H,14H2;2*(H,5,6,7);2*1H2;/q;;;;;;+2/p-2
InChIKeyDEWYLRMQUCIHRS-UHFFFAOYSA-L
XLogP5.82
TPSA283.02 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001101.92
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze bis(2-[(dipyridin-2-ylamino)methyl]benzonitrile);platinum(2+);bis(trifluoromethanesulfonate);dihydrate 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

zinc;N-[4-[2-[8-[2-[4-(dipyridin-2-ylamino)phenyl]ethynyl]anthracen-1-yl]ethynyl]phenyl]-N-pyridin-2-ylpyridin-2-amine;bis(trifluoromethanesulfonate)
CID 139137432
Bis(2-iodobenzyldi(2-pyridyl)amine)platinum(II) triflate
CID 139174356
Bis(benzyldi(2-pyridyl)amine)platinum(II) triflate
CID 139174362
[(DPFN)Cu2AdCN](NTf2)2
CID 168305899
fac-Triaqua[tris(2-pyridyl)amine]chromium(III) trifluoromethanesulfonate
CID 168308748
[Bis(3-methyl-2-pyridinyl)amino]-[[bis[3-(trifluoromethyl)-2-pyridinyl]amino]-isoquinolin-1-ylamino]-ethyl-(3-methyl-2-pyridinyl)azanium
CID 123209019

Frequently Asked Questions

What is the IUPAC name of bis(2-[(dipyridin-2-ylamino)methyl]benzonitrile);platinum(2+);bis(trifluoromethanesulfonate);dihydrate?
The IUPAC name of bis(2-[(dipyridin-2-ylamino)methyl]benzonitrile);platinum(2+);bis(trifluoromethanesulfonate);dihydrate (CID 139174364) is bis(2-[(dipyridin-2-ylamino)methyl]benzonitrile);platinum(2+);bis(trifluoromethanesulfonate);dihydrate.
What is the SMILES notation for bis(2-[(dipyridin-2-ylamino)methyl]benzonitrile);platinum(2+);bis(trifluoromethanesulfonate);dihydrate?
The canonical SMILES for bis(2-[(dipyridin-2-ylamino)methyl]benzonitrile);platinum(2+);bis(trifluoromethanesulfonate);dihydrate is N#Cc1ccccc1CN(c1ccccn1)c1ccccn1.N#Cc1ccccc1CN(c1ccccn1)c1ccccn1.O.O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pt+2].
What is the InChIKey of bis(2-[(dipyridin-2-ylamino)methyl]benzonitrile);platinum(2+);bis(trifluoromethanesulfonate);dihydrate?
The InChIKey is DEWYLRMQUCIHRS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H14N4.2CHF3O3S.2H2O.Pt/c2*19-13-15-7-1-2-8-16(15)14-22(17-9-3-5-11-20-17)18-10-4-6-12-21-18;2*2-1(3,4)8(5,6)7;;;/h2*1-12H,14H2;2*(H,5,6,7);2*1H2;/q;;;;;;+2/p-2.
What are the key properties of bis(2-[(dipyridin-2-ylamino)methyl]benzonitrile);platinum(2+);bis(trifluoromethanesulfonate);dihydrate?
bis(2-[(dipyridin-2-ylamino)methyl]benzonitrile);platinum(2+);bis(trifluoromethanesulfonate);dihydrate has a molecular weight of 1101.92 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[(dipyridin-2-ylamino)methyl]benzonitrile);platinum(2+);bis(trifluoromethanesulfonate);dihydrate is sourced from PubChem (CID 139174364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).