5-(4-tert-butyl-2-pyridinyl)-7-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6H-pyrido[4,3-b]indol-6-ide;platinum

C33H27N6OPt-3 — CID 168848449

About 5-(4-tert-butyl-2-pyridinyl)-7-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6H-pyrido[4,3-b]indol-6-ide;platinum

5-(4-tert-butyl-2-pyridinyl)-7-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6H-pyrido[4,3-b]indol-6-ide;platinum (PubChem CID 168848449) has the molecular formula C33H27N6OPt-3 and a molecular weight of 718.70 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-pyridinyl)-7-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6H-pyrido[4,3-b]indol-6-ide;platinum.

Molecular Properties

• Compound Name: 5-(4-tert-butyl-2-pyridinyl)-7-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6H-pyrido[4,3-b]indol-6-ide;platinum
• PubChem CID: 168848449
• Molecular Formula: C33H27N6OPt-3
• Molecular Weight: 718.70 g/mol
• Exact Mass: 718.19
• IUPAC Name: 5-(4-tert-butyl-2-pyridinyl)-7-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6H-pyrido[4,3-b]indol-6-ide;platinum
• SMILES: CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3cnccc3n4-c3cc(C(C)(C)C)ccn3)ncc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C33H27N6O.Pt/c1-33(2,3)22-11-15-35-31(17-22)39-27-13-14-34-20-26(27)25-10-9-24(19-30(25)39)40-32-18-23(12-16-36-32)38-21-37(4)28-7-5-6-8-29(28)38;/h5-17,20-21H,1-4H3;/q-3
• InChIKey: LRUTVPMXGNSPRF-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 59.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.70
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	0
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 5-(4-tert-butyl-2-pyridinyl)-7-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6H-pyrido[4,3-b]indol-6-ide;platinum?

The IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-7-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6H-pyrido[4,3-b]indol-6-ide;platinum (CID 168848449) is 5-(4-tert-butyl-2-pyridinyl)-7-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6H-pyrido[4,3-b]indol-6-ide;platinum.

What is the SMILES notation for 5-(4-tert-butyl-2-pyridinyl)-7-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6H-pyrido[4,3-b]indol-6-ide;platinum?

The canonical SMILES for 5-(4-tert-butyl-2-pyridinyl)-7-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6H-pyrido[4,3-b]indol-6-ide;platinum is CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3cnccc3n4-c3cc(C(C)(C)C)ccn3)ncc2)c2ccccc21.[Pt].

What is the InChIKey of 5-(4-tert-butyl-2-pyridinyl)-7-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6H-pyrido[4,3-b]indol-6-ide;platinum?

The InChIKey is LRUTVPMXGNSPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N6O.Pt/c1-33(2,3)22-11-15-35-31(17-22)39-27-13-14-34-20-26(27)25-10-9-24(19-30(25)39)40-32-18-23(12-16-36-32)38-21-37(4)28-7-5-6-8-29(28)38;/h5-17,20-21H,1-4H3;/q-3;.

What are the key properties of 5-(4-tert-butyl-2-pyridinyl)-7-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6H-pyrido[4,3-b]indol-6-ide;platinum?

5-(4-tert-butyl-2-pyridinyl)-7-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6H-pyrido[4,3-b]indol-6-ide;platinum has a molecular weight of 718.70 g/mol, XLogP of 7.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-tert-butyl-2-pyridinyl)-7-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-6H-pyrido[4,3-b]indol-6-ide;platinum is sourced from PubChem (CID 168848449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).