1-[3,4-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-isocyano-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)

C38H33N5OPt — CID 168844719

About 1-[3,4-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-isocyano-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)

1-[3,4-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-isocyano-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+) (PubChem CID 168844719) has the molecular formula C38H33N5OPt and a molecular weight of 775.82 g/mol. Its IUPAC name is 1-[3,4-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-isocyano-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+).

Molecular Properties

• Compound Name: 1-[3,4-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-isocyano-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)
• PubChem CID: 168844719
• Molecular Formula: C38H33N5OPt
• Molecular Weight: 775.82 g/mol
• Exact Mass: 775.26
• IUPAC Name: 1-[3,4-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-isocyano-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)
• SMILES: [2H]c1c([2H])c([2H])c(-c2cnc(N3CCCc4c3[c-]c(Oc3[c-]c5c(cc3)CCCN5c3cc(C)ccn3)cc4[N+]#[C-])c(C)c2C)c([2H])c1[2H].[Pt+2]
• InChI: InChI=1S/C38H33N5O.Pt/c1-25-16-17-40-37(20-25)42-18-8-12-29-14-15-30(22-35(29)42)44-31-21-34(39-4)32-13-9-19-43(36(32)23-31)38-27(3)26(2)33(24-41-38)28-10-6-5-7-11-28;/h5-7,10-11,14-17,20-21,24H,8-9,12-13,18-19H2,1-3H3;/q-2;+2/i5D,6D,7D,10D,11D
• InChIKey: XJQRARREONKVER-HWOPKJMPSA-N
• XLogP: 9.18
• TPSA: 45.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.82
LogP ≤ 5	9.18
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-[3,4-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-isocyano-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)?

The IUPAC name of 1-[3,4-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-isocyano-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+) (CID 168844719) is 1-[3,4-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-isocyano-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+).

What is the SMILES notation for 1-[3,4-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-isocyano-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)?

The canonical SMILES for 1-[3,4-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-isocyano-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+) is [2H]c1c([2H])c([2H])c(-c2cnc(N3CCCc4c3[c-]c(Oc3[c-]c5c(cc3)CCCN5c3cc(C)ccn3)cc4[N+]#[C-])c(C)c2C)c([2H])c1[2H].[Pt+2].

What is the InChIKey of 1-[3,4-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-isocyano-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)?

The InChIKey is XJQRARREONKVER-HWOPKJMPSA-N. The full InChI is InChI=1S/C38H33N5O.Pt/c1-25-16-17-40-37(20-25)42-18-8-12-29-14-15-30(22-35(29)42)44-31-21-34(39-4)32-13-9-19-43(36(32)23-31)38-27(3)26(2)33(24-41-38)28-10-6-5-7-11-28;/h5-7,10-11,14-17,20-21,24H,8-9,12-13,18-19H2,1-3H3;/q-2;+2/i5D,6D,7D,10D,11D;.

What are the key properties of 1-[3,4-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-isocyano-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+)?

1-[3,4-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-isocyano-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+) has a molecular weight of 775.82 g/mol, XLogP of 9.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,4-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-isocyano-7-[[1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]-2,3,4,8-tetrahydroquinolin-8-ide;platinum(2+) is sourced from PubChem (CID 168844719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).