7-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-5-isocyano-1-(4-methyl-5-phenyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)

C40H37N5OPt — CID 168844813

About 7-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-5-isocyano-1-(4-methyl-5-phenyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)

7-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-5-isocyano-1-(4-methyl-5-phenyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+) (PubChem CID 168844813) has the molecular formula C40H37N5OPt and a molecular weight of 798.85 g/mol. Its IUPAC name is 7-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-5-isocyano-1-(4-methyl-5-phenyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+).

Molecular Properties

• Compound Name: 7-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-5-isocyano-1-(4-methyl-5-phenyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)
• PubChem CID: 168844813
• Molecular Formula: C40H37N5OPt
• Molecular Weight: 798.85 g/mol
• Exact Mass: 798.26
• IUPAC Name: 7-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-5-isocyano-1-(4-methyl-5-phenyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)
• SMILES: [C-]#[N+]c1cc(Oc2[c-]c3c(cc2)CCCN3c2cc(C(C)(C)C)ccn2)[c-]c2c1CCCN2c1cc(C)c(-c2ccccc2)cn1.[Pt+2]
• InChI: InChI=1S/C40H37N5O.Pt/c1-27-21-38(43-26-34(27)28-11-7-6-8-12-28)45-20-10-14-33-35(41-5)23-32(25-37(33)45)46-31-16-15-29-13-9-19-44(36(29)24-31)39-22-30(17-18-42-39)40(2,3)4;/h6-8,11-12,15-18,21-23,26H,9-10,13-14,19-20H2,1-4H3;/q-2;+2
• InChIKey: PTZMEHBYEKBZSR-UHFFFAOYSA-N
• XLogP: 9.86
• TPSA: 45.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.85
LogP ≤ 5	9.86
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 7-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-5-isocyano-1-(4-methyl-5-phenyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)?

The IUPAC name of 7-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-5-isocyano-1-(4-methyl-5-phenyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+) (CID 168844813) is 7-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-5-isocyano-1-(4-methyl-5-phenyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+).

What is the SMILES notation for 7-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-5-isocyano-1-(4-methyl-5-phenyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)?

The canonical SMILES for 7-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-5-isocyano-1-(4-methyl-5-phenyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+) is [C-]#[N+]c1cc(Oc2[c-]c3c(cc2)CCCN3c2cc(C(C)(C)C)ccn2)[c-]c2c1CCCN2c1cc(C)c(-c2ccccc2)cn1.[Pt+2].

What is the InChIKey of 7-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-5-isocyano-1-(4-methyl-5-phenyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)?

The InChIKey is PTZMEHBYEKBZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37N5O.Pt/c1-27-21-38(43-26-34(27)28-11-7-6-8-12-28)45-20-10-14-33-35(41-5)23-32(25-37(33)45)46-31-16-15-29-13-9-19-44(36(29)24-31)39-22-30(17-18-42-39)40(2,3)4;/h6-8,11-12,15-18,21-23,26H,9-10,13-14,19-20H2,1-4H3;/q-2;+2.

What are the key properties of 7-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-5-isocyano-1-(4-methyl-5-phenyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)?

7-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-5-isocyano-1-(4-methyl-5-phenyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+) has a molecular weight of 798.85 g/mol, XLogP of 9.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-5-isocyano-1-(4-methyl-5-phenyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+) is sourced from PubChem (CID 168844813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).