9-(4-tert-butyl-2-pyridinyl)-7-[3-[4-(2-methylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)

C37H32N4OPt — CID 170513440

About 9-(4-tert-butyl-2-pyridinyl)-7-[3-[4-(2-methylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)

9-(4-tert-butyl-2-pyridinyl)-7-[3-[4-(2-methylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+) (PubChem CID 170513440) has the molecular formula C37H32N4OPt and a molecular weight of 743.77 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-7-[3-[4-(2-methylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-7-[3-[4-(2-methylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)
• PubChem CID: 170513440
• Molecular Formula: C37H32N4OPt
• Molecular Weight: 743.77 g/mol
• Exact Mass: 743.22
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-7-[3-[4-(2-methylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)
• SMILES: CC(C)Cc1ccnc(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C#N)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C37H32N4O.Pt/c1-24(2)17-25-13-15-39-33(19-25)27-7-6-8-29(20-27)42-30-10-11-31-32-18-26(23-38)9-12-34(32)41(35(31)22-30)36-21-28(14-16-40-36)37(3,4)5;/h6-16,18-19,21,24H,17H2,1-5H3;/q-2;+2
• InChIKey: VLUDGPHTVZBDSH-UHFFFAOYSA-N
• XLogP: 9.00
• TPSA: 63.73 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.77
LogP ≤ 5	9.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-7-[3-[4-(2-methylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-7-[3-[4-(2-methylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+) (CID 170513440) is 9-(4-tert-butyl-2-pyridinyl)-7-[3-[4-(2-methylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+).

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-7-[3-[4-(2-methylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-7-[3-[4-(2-methylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+) is CC(C)Cc1ccnc(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C#N)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c1.[Pt+2].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-7-[3-[4-(2-methylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)?

The InChIKey is VLUDGPHTVZBDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N4O.Pt/c1-24(2)17-25-13-15-39-33(19-25)27-7-6-8-29(20-27)42-30-10-11-31-32-18-26(23-38)9-12-34(32)41(35(31)22-30)36-21-28(14-16-40-36)37(3,4)5;/h6-16,18-19,21,24H,17H2,1-5H3;/q-2;+2.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-7-[3-[4-(2-methylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)?

9-(4-tert-butyl-2-pyridinyl)-7-[3-[4-(2-methylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+) has a molecular weight of 743.77 g/mol, XLogP of 9.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-7-[3-[4-(2-methylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+) is sourced from PubChem (CID 170513440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).