bis(1-[5-(5-methylpyrazol-1-id-3-yl)pentyl]-3-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);platinum

C60H64N10Pt2-6 — CID 170690777

About bis(1-[5-(5-methylpyrazol-1-id-3-yl)pentyl]-3-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);platinum

bis(1-[5-(5-methylpyrazol-1-id-3-yl)pentyl]-3-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);platinum (PubChem CID 170690777) has the molecular formula C60H64N10Pt2-6 and a molecular weight of 1315.40 g/mol. Its IUPAC name is bis(1-[5-(5-methylpyrazol-1-id-3-yl)pentyl]-3-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);platinum.

Molecular Properties

• Compound Name: bis(1-[5-(5-methylpyrazol-1-id-3-yl)pentyl]-3-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);platinum
• PubChem CID: 170690777
• Molecular Formula: C60H64N10Pt2-6
• Molecular Weight: 1315.40 g/mol
• Exact Mass: 1314.46
• IUPAC Name: bis(1-[5-(5-methylpyrazol-1-id-3-yl)pentyl]-3-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);platinum
• SMILES: Cc1cc(C)c(-c2cc[c-]c(N3[CH-]N(CCCCCc4cc(C)[n-]n4)c4cccnc43)c2)c(C)c1.Cc1cc(C)c(-c2cc[c-]c(N3[CH-]N(CCCCCc4cc(C)[n-]n4)c4cccnc43)c2)c(C)c1.[Pt].[Pt]
• InChI: InChI=1S/2C30H32N5.2Pt/c2*1-21-16-22(2)29(23(3)17-21)25-10-8-12-27(19-25)35-20-34(28-13-9-14-31-30(28)35)15-7-5-6-11-26-18-24(4)32-33-26;;/h2*8-10,13-14,16-20H,5-7,11,15H2,1-4H3;;/q2*-3
• InChIKey: BRRYLSCXNHHRAC-UHFFFAOYSA-N
• XLogP: 13.25
• TPSA: 92.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1315.40
LogP ≤ 5	13.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-[5-(5-methylpyrazol-1-id-3-yl)pentyl]-3-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);platinum?

The IUPAC name of bis(1-[5-(5-methylpyrazol-1-id-3-yl)pentyl]-3-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);platinum (CID 170690777) is bis(1-[5-(5-methylpyrazol-1-id-3-yl)pentyl]-3-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);platinum.

What is the SMILES notation for bis(1-[5-(5-methylpyrazol-1-id-3-yl)pentyl]-3-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);platinum?

The canonical SMILES for bis(1-[5-(5-methylpyrazol-1-id-3-yl)pentyl]-3-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);platinum is Cc1cc(C)c(-c2cc[c-]c(N3[CH-]N(CCCCCc4cc(C)[n-]n4)c4cccnc43)c2)c(C)c1.Cc1cc(C)c(-c2cc[c-]c(N3[CH-]N(CCCCCc4cc(C)[n-]n4)c4cccnc43)c2)c(C)c1.[Pt].[Pt].

What is the InChIKey of bis(1-[5-(5-methylpyrazol-1-id-3-yl)pentyl]-3-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);platinum?

The InChIKey is BRRYLSCXNHHRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H32N5.2Pt/c2*1-21-16-22(2)29(23(3)17-21)25-10-8-12-27(19-25)35-20-34(28-13-9-14-31-30(28)35)15-7-5-6-11-26-18-24(4)32-33-26;;/h2*8-10,13-14,16-20H,5-7,11,15H2,1-4H3;;/q2*-3;;.

What are the key properties of bis(1-[5-(5-methylpyrazol-1-id-3-yl)pentyl]-3-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);platinum?

bis(1-[5-(5-methylpyrazol-1-id-3-yl)pentyl]-3-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);platinum has a molecular weight of 1315.40 g/mol, XLogP of 13.25, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-[5-(5-methylpyrazol-1-id-3-yl)pentyl]-3-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);platinum is sourced from PubChem (CID 170690777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).