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

C34H35N4OPt-3 — CID 168848613

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

1-[2-[3-[1-(4-tert-butyl-2-pyridinyl)cyclohexyl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum (PubChem CID 168848613) has the molecular formula C34H35N4OPt-3 and a molecular weight of 710.76 g/mol. Its IUPAC name is 1-[2-[3-[1-(4-tert-butyl-2-pyridinyl)cyclohexyl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum.

Molecular Properties

• Compound Name: 1-[2-[3-[1-(4-tert-butyl-2-pyridinyl)cyclohexyl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum
• PubChem CID: 168848613
• Molecular Formula: C34H35N4OPt-3
• Molecular Weight: 710.76 g/mol
• Exact Mass: 710.25
• IUPAC Name: 1-[2-[3-[1-(4-tert-butyl-2-pyridinyl)cyclohexyl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum
• SMILES: CN1[CH-]N(c2[c-]c(Oc3[c-]c(C4(c5cc(C(C)(C)C)ccn5)CCCCC4)ccc3)ncc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C34H35N4O.Pt/c1-33(2,3)25-15-19-35-31(22-25)34(17-8-5-9-18-34)26-11-10-12-28(21-26)39-32-23-27(16-20-36-32)38-24-37(4)29-13-6-7-14-30(29)38;/h6-7,10-16,19-20,22,24H,5,8-9,17-18H2,1-4H3;/q-3
• InChIKey: NDKTURFAXOBZEH-UHFFFAOYSA-N
• XLogP: 8.12
• TPSA: 41.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	710.76
LogP ≤ 5	8.12
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 1-[2-[3-[1-(4-tert-butyl-2-pyridinyl)cyclohexyl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum?

The IUPAC name of 1-[2-[3-[1-(4-tert-butyl-2-pyridinyl)cyclohexyl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum (CID 168848613) is 1-[2-[3-[1-(4-tert-butyl-2-pyridinyl)cyclohexyl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum.

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

The canonical SMILES for 1-[2-[3-[1-(4-tert-butyl-2-pyridinyl)cyclohexyl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum is CN1[CH-]N(c2[c-]c(Oc3[c-]c(C4(c5cc(C(C)(C)C)ccn5)CCCCC4)ccc3)ncc2)c2ccccc21.[Pt].

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

The InChIKey is NDKTURFAXOBZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N4O.Pt/c1-33(2,3)25-15-19-35-31(22-25)34(17-8-5-9-18-34)26-11-10-12-28(21-26)39-32-23-27(16-20-36-32)38-24-37(4)29-13-6-7-14-30(29)38;/h6-7,10-16,19-20,22,24H,5,8-9,17-18H2,1-4H3;/q-3;.

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

1-[2-[3-[1-(4-tert-butyl-2-pyridinyl)cyclohexyl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum has a molecular weight of 710.76 g/mol, XLogP of 8.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-[1-(4-tert-butyl-2-pyridinyl)cyclohexyl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum is sourced from PubChem (CID 168848613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).