2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5,6-dimethyl-1,2,4-triazin-3-yl)-1H-carbazol-1-ide;platinum(2+)

C32H27N5OPt — CID 153421448

About 2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5,6-dimethyl-1,2,4-triazin-3-yl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5,6-dimethyl-1,2,4-triazin-3-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421448) has the molecular formula C32H27N5OPt and a molecular weight of 692.68 g/mol. Its IUPAC name is 2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5,6-dimethyl-1,2,4-triazin-3-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5,6-dimethyl-1,2,4-triazin-3-yl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153421448
• Molecular Formula: C32H27N5OPt
• Molecular Weight: 692.68 g/mol
• Exact Mass: 692.19
• IUPAC Name: 2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5,6-dimethyl-1,2,4-triazin-3-yl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1nnc(-n2c3[c-]c(-c4[c-]c(Oc5cc(C(C)(C)C)ccn5)ccc4)ccc3c3ccccc32)nc1C.[Pt+2]
• InChI: InChI=1S/C32H27N5O.Pt/c1-20-21(2)35-36-31(34-20)37-28-12-7-6-11-26(28)27-14-13-23(18-29(27)37)22-9-8-10-25(17-22)38-30-19-24(15-16-33-30)32(3,4)5;/h6-16,19H,1-5H3;/q-2;+2
• InChIKey: OYPYWOVFGGUBNZ-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 65.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.68
LogP ≤ 5	7.34
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 2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5,6-dimethyl-1,2,4-triazin-3-yl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5,6-dimethyl-1,2,4-triazin-3-yl)-1H-carbazol-1-ide;platinum(2+) (CID 153421448) is 2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5,6-dimethyl-1,2,4-triazin-3-yl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5,6-dimethyl-1,2,4-triazin-3-yl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5,6-dimethyl-1,2,4-triazin-3-yl)-1H-carbazol-1-ide;platinum(2+) is Cc1nnc(-n2c3[c-]c(-c4[c-]c(Oc5cc(C(C)(C)C)ccn5)ccc4)ccc3c3ccccc32)nc1C.[Pt+2].

What is the InChIKey of 2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5,6-dimethyl-1,2,4-triazin-3-yl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is OYPYWOVFGGUBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N5O.Pt/c1-20-21(2)35-36-31(34-20)37-28-12-7-6-11-26(28)27-14-13-23(18-29(27)37)22-9-8-10-25(17-22)38-30-19-24(15-16-33-30)32(3,4)5;/h6-16,19H,1-5H3;/q-2;+2.

What are the key properties of 2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5,6-dimethyl-1,2,4-triazin-3-yl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5,6-dimethyl-1,2,4-triazin-3-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 692.68 g/mol, XLogP of 7.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5,6-dimethyl-1,2,4-triazin-3-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).