N'-(2-methyl-3-pyridinyl)-N'-(trideuteriomethyl)-N-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]methanediamine;platinum(4+);cyanide

C31H31N7Pt — CID 155650458

About N'-(2-methyl-3-pyridinyl)-N'-(trideuteriomethyl)-N-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]methanediamine;platinum(4+);cyanide

N'-(2-methyl-3-pyridinyl)-N'-(trideuteriomethyl)-N-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]methanediamine;platinum(4+);cyanide (PubChem CID 155650458) has the molecular formula C31H31N7Pt and a molecular weight of 702.75 g/mol. Its IUPAC name is N'-(2-methyl-3-pyridinyl)-N'-(trideuteriomethyl)-N-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]methanediamine;platinum(4+);cyanide.

Molecular Properties

• Compound Name: N'-(2-methyl-3-pyridinyl)-N'-(trideuteriomethyl)-N-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]methanediamine;platinum(4+);cyanide
• PubChem CID: 155650458
• Molecular Formula: C31H31N7Pt
• Molecular Weight: 702.75 g/mol
• Exact Mass: 702.27
• IUPAC Name: N'-(2-methyl-3-pyridinyl)-N'-(trideuteriomethyl)-N-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]methanediamine;platinum(4+);cyanide
• SMILES: [2H]C([2H])([2H])N([CH-]Nc1[c-]c(N2[CH-]N(C([2H])([2H])[2H])c3cccnc32)cc(-c2c(C)cc(C)cc2C)c1)c1cccnc1C.[C-]#N.[Pt+4]
• InChI: InChI=1S/C30H31N6.CN.Pt/c1-20-13-21(2)29(22(3)14-20)24-15-25(33-18-34(5)27-9-7-11-31-23(27)4)17-26(16-24)36-19-35(6)28-10-8-12-32-30(28)36;1-2;/h7-16,18-19,33H,1-6H3;;/q-3;-1;+4/i5D3,6D3
• InChIKey: AYHRSKAPKJUPHE-NWXAPCBASA-N
• XLogP: 6.65
• TPSA: 71.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.75
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-3-pyridinyl)-N'-(trideuteriomethyl)-N-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]methanediamine;platinum(4+);cyanide?

The IUPAC name of N'-(2-methyl-3-pyridinyl)-N'-(trideuteriomethyl)-N-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]methanediamine;platinum(4+);cyanide (CID 155650458) is N'-(2-methyl-3-pyridinyl)-N'-(trideuteriomethyl)-N-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]methanediamine;platinum(4+);cyanide.

What is the SMILES notation for N'-(2-methyl-3-pyridinyl)-N'-(trideuteriomethyl)-N-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]methanediamine;platinum(4+);cyanide?

The canonical SMILES for N'-(2-methyl-3-pyridinyl)-N'-(trideuteriomethyl)-N-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]methanediamine;platinum(4+);cyanide is [2H]C([2H])([2H])N([CH-]Nc1[c-]c(N2[CH-]N(C([2H])([2H])[2H])c3cccnc32)cc(-c2c(C)cc(C)cc2C)c1)c1cccnc1C.[C-]#N.[Pt+4].

What is the InChIKey of N'-(2-methyl-3-pyridinyl)-N'-(trideuteriomethyl)-N-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]methanediamine;platinum(4+);cyanide?

The InChIKey is AYHRSKAPKJUPHE-NWXAPCBASA-N. The full InChI is InChI=1S/C30H31N6.CN.Pt/c1-20-13-21(2)29(22(3)14-20)24-15-25(33-18-34(5)27-9-7-11-31-23(27)4)17-26(16-24)36-19-35(6)28-10-8-12-32-30(28)36;1-2;/h7-16,18-19,33H,1-6H3;;/q-3;-1;+4/i5D3,6D3;;.

What are the key properties of N'-(2-methyl-3-pyridinyl)-N'-(trideuteriomethyl)-N-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]methanediamine;platinum(4+);cyanide?

N'-(2-methyl-3-pyridinyl)-N'-(trideuteriomethyl)-N-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]methanediamine;platinum(4+);cyanide has a molecular weight of 702.75 g/mol, XLogP of 6.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2-methyl-3-pyridinyl)-N'-(trideuteriomethyl)-N-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]methanediamine;platinum(4+);cyanide is sourced from PubChem (CID 155650458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).