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

C34H17FN6OPt — CID 153413357

About 2-[1-[3-[[9-(4-fluoro-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-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile;platinum(2+) (PubChem CID 153413357) has the molecular formula C34H17FN6OPt and a molecular weight of 739.63 g/mol. Its IUPAC name is 2-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile;platinum(2+).

Molecular Properties

• Compound Name: 2-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile;platinum(2+)
• PubChem CID: 153413357
• Molecular Formula: C34H17FN6OPt
• Molecular Weight: 739.63 g/mol
• Exact Mass: 739.11
• IUPAC Name: 2-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile;platinum(2+)
• SMILES: N#Cc1cccc(C#N)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(F)ccn3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C34H17FN6O.Pt/c35-25-13-14-38-33(15-25)41-31-10-2-1-9-29(31)30-12-11-28(17-32(30)41)42-27-8-4-7-26(16-27)40-21-24(20-39-40)34-22(18-36)5-3-6-23(34)19-37;/h1-15,20-21H;/q-2;+2
• InChIKey: YJJDJYXYNIUGJP-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 92.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.63
LogP ≤ 5	7.30
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 2-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile;platinum(2+)?

The IUPAC name of 2-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile;platinum(2+) (CID 153413357) is 2-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile;platinum(2+).

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

The canonical SMILES for 2-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile;platinum(2+) is N#Cc1cccc(C#N)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(F)ccn3)ccc2)c1.[Pt+2].

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

The InChIKey is YJJDJYXYNIUGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H17FN6O.Pt/c35-25-13-14-38-33(15-25)41-31-10-2-1-9-29(31)30-12-11-28(17-32(30)41)42-27-8-4-7-26(16-27)40-21-24(20-39-40)34-22(18-36)5-3-6-23(34)19-37;/h1-15,20-21H;/q-2;+2.

What are the key properties of 2-[1-[3-[[9-(4-fluoro-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-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile;platinum(2+) has a molecular weight of 739.63 g/mol, XLogP of 7.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[3-[[9-(4-fluoro-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile;platinum(2+) is sourced from PubChem (CID 153413357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).