platinum;5-[3-[(5,6,7,8-tetradeuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide

C37H22N5OPt-3 — CID 162771887

About platinum;5-[3-[(5,6,7,8-tetradeuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide

platinum;5-[3-[(5,6,7,8-tetradeuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide (PubChem CID 162771887) has the molecular formula C37H22N5OPt-3 and a molecular weight of 751.72 g/mol. Its IUPAC name is platinum;5-[3-[(5,6,7,8-tetradeuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide.

Molecular Properties

• Compound Name: platinum;5-[3-[(5,6,7,8-tetradeuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide
• PubChem CID: 162771887
• Molecular Formula: C37H22N5OPt-3
• Molecular Weight: 751.72 g/mol
• Exact Mass: 751.17
• IUPAC Name: platinum;5-[3-[(5,6,7,8-tetradeuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(Oc3[c-]c(N4[CH-]n5c(nc6ccccc65)-c5ccccc54)ccc3)[c-]c1n2-c1ccccn1.[Pt]
• InChI: InChI=1S/C37H22N5O.Pt/c1-5-16-33-28(12-1)29-20-19-27(23-35(29)42(33)36-18-7-8-21-38-36)43-26-11-9-10-25(22-26)40-24-41-34-17-6-3-14-31(34)39-37(41)30-13-2-4-15-32(30)40;/h1-21,24H;/q-3;/i1D,5D,12D,16D
• InChIKey: ZOGHFGBLKCTQTP-FSPAYLOHSA-N
• XLogP: 8.70
• TPSA: 48.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.72
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of platinum;5-[3-[(5,6,7,8-tetradeuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide?

The IUPAC name of platinum;5-[3-[(5,6,7,8-tetradeuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide (CID 162771887) is platinum;5-[3-[(5,6,7,8-tetradeuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide.

What is the SMILES notation for platinum;5-[3-[(5,6,7,8-tetradeuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide?

The canonical SMILES for platinum;5-[3-[(5,6,7,8-tetradeuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide is [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(Oc3[c-]c(N4[CH-]n5c(nc6ccccc65)-c5ccccc54)ccc3)[c-]c1n2-c1ccccn1.[Pt].

What is the InChIKey of platinum;5-[3-[(5,6,7,8-tetradeuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide?

The InChIKey is ZOGHFGBLKCTQTP-FSPAYLOHSA-N. The full InChI is InChI=1S/C37H22N5O.Pt/c1-5-16-33-28(12-1)29-20-19-27(23-35(29)42(33)36-18-7-8-21-38-36)43-26-11-9-10-25(22-26)40-24-41-34-17-6-3-14-31(34)39-37(41)30-13-2-4-15-32(30)40;/h1-21,24H;/q-3;/i1D,5D,12D,16D;.

What are the key properties of platinum;5-[3-[(5,6,7,8-tetradeuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide?

platinum;5-[3-[(5,6,7,8-tetradeuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide has a molecular weight of 751.72 g/mol, XLogP of 8.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for platinum;5-[3-[(5,6,7,8-tetradeuterio-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-6H-benzimidazolo[1,2-c]quinazolin-6-ide is sourced from PubChem (CID 162771887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).