[1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum

C31H28N4OPt-2 — CID 169066578

About [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum

[1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum (PubChem CID 169066578) has the molecular formula C31H28N4OPt-2 and a molecular weight of 667.67 g/mol. Its IUPAC name is [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
• PubChem CID: 169066578
• Molecular Formula: C31H28N4OPt-2
• Molecular Weight: 667.67 g/mol
• Exact Mass: 667.19
• IUPAC Name: [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
• SMILES: Cc1ccnc(N2CCC(C)(C)c3ccc(Oc4[c-]c(-n5c(=[Pt])n(C)c6ccccc65)ccc4)[c-]c32)c1
• InChI: InChI=1S/C31H28N4O.Pt/c1-22-14-16-32-30(18-22)34-17-15-31(2,3)26-13-12-25(20-29(26)34)36-24-9-7-8-23(19-24)35-21-33(4)27-10-5-6-11-28(27)35;/h5-14,16,18H,15,17H2,1-4H3;/q-2
• InChIKey: JCSXLDSWHRRVPJ-UHFFFAOYSA-N
• XLogP: 6.96
• TPSA: 35.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.67
LogP ≤ 5	6.96
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-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum (CID 169066578) is [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum is Cc1ccnc(N2CCC(C)(C)c3ccc(Oc4[c-]c(-n5c(=[Pt])n(C)c6ccccc65)ccc4)[c-]c32)c1.

What is the InChIKey of [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum?

The InChIKey is JCSXLDSWHRRVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O.Pt/c1-22-14-16-32-30(18-22)34-17-15-31(2,3)26-13-12-25(20-29(26)34)36-24-9-7-8-23(19-24)35-21-33(4)27-10-5-6-11-28(27)35;/h5-14,16,18H,15,17H2,1-4H3;/q-2;.

What are the key properties of [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum?

[1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum has a molecular weight of 667.67 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum is sourced from PubChem (CID 169066578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).