platinum(4+);1,5,6-trimethyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;cyanide

C40H45N5Pt — CID 164730512

About platinum(4+);1,5,6-trimethyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;cyanide

platinum(4+);1,5,6-trimethyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;cyanide (PubChem CID 164730512) has the molecular formula C40H45N5Pt and a molecular weight of 790.91 g/mol. Its IUPAC name is platinum(4+);1,5,6-trimethyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;cyanide.

Molecular Properties

• Compound Name: platinum(4+);1,5,6-trimethyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;cyanide
• PubChem CID: 164730512
• Molecular Formula: C40H45N5Pt
• Molecular Weight: 790.91 g/mol
• Exact Mass: 790.33
• IUPAC Name: platinum(4+);1,5,6-trimethyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;cyanide
• SMILES: Cc1cc2c(cc1C)N(c1[c-]c(N3[CH-]N(C)c4ccccc43)cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c1)[CH-]N2C.[C-]#N.[Pt+4]
• InChI: InChI=1S/C39H45N4.CN.Pt/c1-24(2)29-19-33(25(3)4)39(34(20-29)26(5)6)30-17-31(42-22-40(9)35-13-11-12-14-36(35)42)21-32(18-30)43-23-41(10)37-15-27(7)28(8)16-38(37)43;1-2;/h11-20,22-26H,1-10H3;;/q-3;-1;+4
• InChIKey: LKKZZGXFXVCSMR-UHFFFAOYSA-N
• XLogP: 10.65
• TPSA: 36.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.91
LogP ≤ 5	10.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of platinum(4+);1,5,6-trimethyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;cyanide?

The IUPAC name of platinum(4+);1,5,6-trimethyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;cyanide (CID 164730512) is platinum(4+);1,5,6-trimethyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;cyanide.

What is the SMILES notation for platinum(4+);1,5,6-trimethyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;cyanide?

The canonical SMILES for platinum(4+);1,5,6-trimethyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;cyanide is Cc1cc2c(cc1C)N(c1[c-]c(N3[CH-]N(C)c4ccccc43)cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c1)[CH-]N2C.[C-]#N.[Pt+4].

What is the InChIKey of platinum(4+);1,5,6-trimethyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;cyanide?

The InChIKey is LKKZZGXFXVCSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H45N4.CN.Pt/c1-24(2)29-19-33(25(3)4)39(34(20-29)26(5)6)30-17-31(42-22-40(9)35-13-11-12-14-36(35)42)21-32(18-30)43-23-41(10)37-15-27(7)28(8)16-38(37)43;1-2;/h11-20,22-26H,1-10H3;;/q-3;-1;+4.

What are the key properties of platinum(4+);1,5,6-trimethyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;cyanide?

platinum(4+);1,5,6-trimethyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;cyanide has a molecular weight of 790.91 g/mol, XLogP of 10.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(4+);1,5,6-trimethyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;cyanide is sourced from PubChem (CID 164730512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).