platinum(2+);2-[1-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile

C37H24N6OPt — CID 153414209

About platinum(2+);2-[1-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile

platinum(2+);2-[1-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile (PubChem CID 153414209) has the molecular formula C37H24N6OPt and a molecular weight of 763.72 g/mol. Its IUPAC name is platinum(2+);2-[1-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: platinum(2+);2-[1-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile
• PubChem CID: 153414209
• Molecular Formula: C37H24N6OPt
• Molecular Weight: 763.72 g/mol
• Exact Mass: 763.17
• IUPAC Name: platinum(2+);2-[1-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile
• SMILES: CC(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C#N)cccc6C#N)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C37H24N6O.Pt/c1-24(2)25-15-16-40-36(17-25)43-34-12-4-3-11-32(34)33-14-13-31(19-35(33)43)44-30-10-6-9-29(18-30)42-23-28(22-41-42)37-26(20-38)7-5-8-27(37)21-39;/h3-17,22-24H,1-2H3;/q-2;+2
• InChIKey: WIKDLNNWPJJPQX-UHFFFAOYSA-N
• XLogP: 8.29
• TPSA: 92.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.72
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of platinum(2+);2-[1-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile?

The IUPAC name of platinum(2+);2-[1-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile (CID 153414209) is platinum(2+);2-[1-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile.

What is the SMILES notation for platinum(2+);2-[1-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile?

The canonical SMILES for platinum(2+);2-[1-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile is CC(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C#N)cccc6C#N)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of platinum(2+);2-[1-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile?

The InChIKey is WIKDLNNWPJJPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N6O.Pt/c1-24(2)25-15-16-40-36(17-25)43-34-12-4-3-11-32(34)33-14-13-31(19-35(33)43)44-30-10-6-9-29(18-30)42-23-28(22-41-42)37-26(20-38)7-5-8-27(37)21-39;/h3-17,22-24H,1-2H3;/q-2;+2.

What are the key properties of platinum(2+);2-[1-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile?

platinum(2+);2-[1-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile has a molecular weight of 763.72 g/mol, XLogP of 8.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);2-[1-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 153414209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).