1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;platinum

C46H42N6O2Pt2-6 — CID 165155014

About 1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;platinum

1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;platinum (PubChem CID 165155014) has the molecular formula C46H42N6O2Pt2-6 and a molecular weight of 1101.04 g/mol. Its IUPAC name is 1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;platinum.

Molecular Properties

• Compound Name: 1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;platinum
• PubChem CID: 165155014
• Molecular Formula: C46H42N6O2Pt2-6
• Molecular Weight: 1101.04 g/mol
• Exact Mass: 1100.27
• IUPAC Name: 1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;platinum
• SMILES: CN1[CH-]N(c2[c-]c(Oc3[c-]c(-c4[c-]c(Oc5[c-]c(N6[CH-]N(C)c7ccccc76)cc(C(C)(C)C)c5)ccn4)ncc3)cc(C(C)(C)C)c2)c2ccccc21.[Pt].[Pt]
• InChI: InChI=1S/C46H42N6O2.2Pt/c1-45(2,3)31-21-33(51-29-49(7)41-13-9-11-15-43(41)51)25-37(23-31)53-35-17-19-47-39(27-35)40-28-36(18-20-48-40)54-38-24-32(46(4,5)6)22-34(26-38)52-30-50(8)42-14-10-12-16-44(42)52;;/h9-24,29-30H,1-8H3;;/q-6
• InChIKey: XRBWDXRDWOLSQI-UHFFFAOYSA-N
• XLogP: 10.93
• TPSA: 57.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1101.04
LogP ≤ 5	10.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;platinum?

The IUPAC name of 1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;platinum (CID 165155014) is 1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;platinum.

What is the SMILES notation for 1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;platinum?

The canonical SMILES for 1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;platinum is CN1[CH-]N(c2[c-]c(Oc3[c-]c(-c4[c-]c(Oc5[c-]c(N6[CH-]N(C)c7ccccc76)cc(C(C)(C)C)c5)ccn4)ncc3)cc(C(C)(C)C)c2)c2ccccc21.[Pt].[Pt].

What is the InChIKey of 1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;platinum?

The InChIKey is XRBWDXRDWOLSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42N6O2.2Pt/c1-45(2,3)31-21-33(51-29-49(7)41-13-9-11-15-43(41)51)25-37(23-31)53-35-17-19-47-39(27-35)40-28-36(18-20-48-40)54-38-24-32(46(4,5)6)22-34(26-38)52-30-50(8)42-14-10-12-16-44(42)52;;/h9-24,29-30H,1-8H3;;/q-6;;.

What are the key properties of 1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;platinum?

1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;platinum has a molecular weight of 1101.04 g/mol, XLogP of 10.93, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-4-yl]oxy]benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;platinum is sourced from PubChem (CID 165155014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).