platinum(2+);2-[2-(3-pyridin-2-ylphenyl)propan-2-yl]-6-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-6-id-1-yl]pyridine

C33H22F6N2Pt — CID 58004391

IUPACplatinum(2+);2-[2-(3-pyridin-2-ylphenyl)propan-2-yl]-6-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-6-id-1-yl]pyridine
SMILESCC(C)(c1cccc(-c2ccccn2)c1)c1cccc(-c2[c-]c(-c3[c-]ccc(C(F)(F)F)c3)cc(C(F)(F)F)c2)n1.[Pt+2]
InChIInChI=1S/C33H22F6N2.Pt/c1-31(2,25-10-6-9-22(18-25)28-12-3-4-15-40-28)30-14-7-13-29(41-30)24-16-23(19-27(20-24)33(37,38)39)21-8-5-11-26(17-21)32(34,35)36;/h3-7,9-15,17-20H,1-2H3;/q-2;+2
InChIKeyBBLXTNFFTLZHBB-UHFFFAOYSA-N
MW755.62 g/mol
LogP9.44
Rot. Bonds5

About platinum(2+);2-[2-(3-pyridin-2-ylphenyl)propan-2-yl]-6-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-6-id-1-yl]pyridine

platinum(2+);2-[2-(3-pyridin-2-ylphenyl)propan-2-yl]-6-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-6-id-1-yl]pyridine (PubChem CID 58004391) has the molecular formula C33H22F6N2Pt and a molecular weight of 755.62 g/mol. Its IUPAC name is platinum(2+);2-[2-(3-pyridin-2-ylphenyl)propan-2-yl]-6-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Nameplatinum(2+);2-[2-(3-pyridin-2-ylphenyl)propan-2-yl]-6-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-6-id-1-yl]pyridine
PubChem CID58004391
Molecular FormulaC33H22F6N2Pt
Molecular Weight755.62 g/mol
Exact Mass755.13
IUPAC Nameplatinum(2+);2-[2-(3-pyridin-2-ylphenyl)propan-2-yl]-6-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-6-id-1-yl]pyridine
SMILESCC(C)(c1cccc(-c2ccccn2)c1)c1cccc(-c2[c-]c(-c3[c-]ccc(C(F)(F)F)c3)cc(C(F)(F)F)c2)n1.[Pt+2]
InChIInChI=1S/C33H22F6N2.Pt/c1-31(2,25-10-6-9-22(18-25)28-12-3-4-15-40-28)30-14-7-13-29(41-30)24-16-23(19-27(20-24)33(37,38)39)21-8-5-11-26(17-21)32(34,35)36;/h3-7,9-15,17-20H,1-2H3;/q-2;+2
InChIKeyBBLXTNFFTLZHBB-UHFFFAOYSA-N
XLogP9.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.62
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze platinum(2+);2-[2-(3-pyridin-2-ylphenyl)propan-2-yl]-6-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-6-id-1-yl]pyridine 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

2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736
2-methyl-5-(2-(pyridin-2-yl)ethyl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 54582940
2-methyl-5-(2-(pyridin-4-yl)ethyl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 54585847
5-((4-Methylpyridin-3-yl)methyl)-2-phenylpyridine
CID 57330085
5-((5-Methylpyridin-3-yl)methyl)-2-phenylpyridine
CID 57330086
3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 66829417
2-Phenyl-5-[[5-(trifluoromethyl)pyridin-3-yl]methyl]pyridine
CID 73347616
3-Fluoro-5-[(6-phenyl-3-pyridinyl)methyl]pyridine
CID 73356735
2-(2-Fluorophenyl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137633417
5,5-Bis[(2-fluoro-4-pyridinyl)methyl]indeno[1,2-b]pyridine
CID 10810126
2-methyl-5-(2-(pyridin-3-yl)ethyl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 54584885
3-[2-[4-Fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]-1-pyridin-3-ylethyl]pyridine
CID 67264841

Frequently Asked Questions

What is the IUPAC name of platinum(2+);2-[2-(3-pyridin-2-ylphenyl)propan-2-yl]-6-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-6-id-1-yl]pyridine?
The IUPAC name of platinum(2+);2-[2-(3-pyridin-2-ylphenyl)propan-2-yl]-6-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-6-id-1-yl]pyridine (CID 58004391) is platinum(2+);2-[2-(3-pyridin-2-ylphenyl)propan-2-yl]-6-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-6-id-1-yl]pyridine.
What is the SMILES notation for platinum(2+);2-[2-(3-pyridin-2-ylphenyl)propan-2-yl]-6-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-6-id-1-yl]pyridine?
The canonical SMILES for platinum(2+);2-[2-(3-pyridin-2-ylphenyl)propan-2-yl]-6-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-6-id-1-yl]pyridine is CC(C)(c1cccc(-c2ccccn2)c1)c1cccc(-c2[c-]c(-c3[c-]ccc(C(F)(F)F)c3)cc(C(F)(F)F)c2)n1.[Pt+2].
What is the InChIKey of platinum(2+);2-[2-(3-pyridin-2-ylphenyl)propan-2-yl]-6-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-6-id-1-yl]pyridine?
The InChIKey is BBLXTNFFTLZHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22F6N2.Pt/c1-31(2,25-10-6-9-22(18-25)28-12-3-4-15-40-28)30-14-7-13-29(41-30)24-16-23(19-27(20-24)33(37,38)39)21-8-5-11-26(17-21)32(34,35)36;/h3-7,9-15,17-20H,1-2H3;/q-2;+2.
What are the key properties of platinum(2+);2-[2-(3-pyridin-2-ylphenyl)propan-2-yl]-6-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-6-id-1-yl]pyridine?
platinum(2+);2-[2-(3-pyridin-2-ylphenyl)propan-2-yl]-6-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-6-id-1-yl]pyridine has a molecular weight of 755.62 g/mol, XLogP of 9.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);2-[2-(3-pyridin-2-ylphenyl)propan-2-yl]-6-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 58004391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).