platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide

C31H23N3OPt — CID 153421244

About platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide

platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide (PubChem CID 153421244) has the molecular formula C31H23N3OPt and a molecular weight of 648.62 g/mol. Its IUPAC name is platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide.

Molecular Properties

• Compound Name: platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide
• PubChem CID: 153421244
• Molecular Formula: C31H23N3OPt
• Molecular Weight: 648.62 g/mol
• Exact Mass: 648.15
• IUPAC Name: platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide
• SMILES: CC(C)c1cccc(-n2c3[c-]c(-c4[c-]c(Oc5ccccn5)ccc4)ccc3c3ccccc32)n1.[Pt+2]
• InChI: InChI=1S/C31H23N3O.Pt/c1-21(2)27-12-8-14-30(33-27)34-28-13-4-3-11-25(28)26-17-16-23(20-29(26)34)22-9-7-10-24(19-22)35-31-15-5-6-18-32-31;/h3-18,21H,1-2H3;/q-2;+2
• InChIKey: YMKDFPGHZQADND-UHFFFAOYSA-N
• XLogP: 7.75
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.62
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide?

The IUPAC name of platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide (CID 153421244) is platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide.

What is the SMILES notation for platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide?

The canonical SMILES for platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide is CC(C)c1cccc(-n2c3[c-]c(-c4[c-]c(Oc5ccccn5)ccc4)ccc3c3ccccc32)n1.[Pt+2].

What is the InChIKey of platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide?

The InChIKey is YMKDFPGHZQADND-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3O.Pt/c1-21(2)27-12-8-14-30(33-27)34-28-13-4-3-11-25(28)26-17-16-23(20-29(26)34)22-9-7-10-24(19-22)35-31-15-5-6-18-32-31;/h3-18,21H,1-2H3;/q-2;+2.

What are the key properties of platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide?

platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide has a molecular weight of 648.62 g/mol, XLogP of 7.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide is sourced from PubChem (CID 153421244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).