9-(3,4-ditert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)

C36H33N3OPt — CID 153421636

About 9-(3,4-ditert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)

9-(3,4-ditert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421636) has the molecular formula C36H33N3OPt and a molecular weight of 718.76 g/mol. Its IUPAC name is 9-(3,4-ditert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(3,4-ditert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153421636
• Molecular Formula: C36H33N3OPt
• Molecular Weight: 718.76 g/mol
• Exact Mass: 718.23
• IUPAC Name: 9-(3,4-ditert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(-c4[c-]c(Oc5ccccn5)ccc4)ccc3c3ccccc32)c1C(C)(C)C.[Pt+2]
• InChI: InChI=1S/C36H33N3O.Pt/c1-35(2,3)29-19-21-38-34(33(29)36(4,5)6)39-30-15-8-7-14-27(30)28-18-17-25(23-31(28)39)24-12-11-13-26(22-24)40-32-16-9-10-20-37-32;/h7-21H,1-6H3;/q-2;+2
• InChIKey: BCRPJNOOZZJRRV-UHFFFAOYSA-N
• XLogP: 9.23
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.76
LogP ≤ 5	9.23
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 9-(3,4-ditert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(3,4-ditert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) (CID 153421636) is 9-(3,4-ditert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(3,4-ditert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(3,4-ditert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) is CC(C)(C)c1ccnc(-n2c3[c-]c(-c4[c-]c(Oc5ccccn5)ccc4)ccc3c3ccccc32)c1C(C)(C)C.[Pt+2].

What is the InChIKey of 9-(3,4-ditert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is BCRPJNOOZZJRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N3O.Pt/c1-35(2,3)29-19-21-38-34(33(29)36(4,5)6)39-30-15-8-7-14-27(30)28-18-17-25(23-31(28)39)24-12-11-13-26(22-24)40-32-16-9-10-20-37-32;/h7-21H,1-6H3;/q-2;+2.

What are the key properties of 9-(3,4-ditert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

9-(3,4-ditert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 718.76 g/mol, XLogP of 9.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3,4-ditert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).