9-(4-cyclohexyl-2-pyridinyl)-2-[3-[(4-cyclohexyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)

C40H37N3OPt — CID 153421345

About 9-(4-cyclohexyl-2-pyridinyl)-2-[3-[(4-cyclohexyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)

9-(4-cyclohexyl-2-pyridinyl)-2-[3-[(4-cyclohexyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421345) has the molecular formula C40H37N3OPt and a molecular weight of 770.83 g/mol. Its IUPAC name is 9-(4-cyclohexyl-2-pyridinyl)-2-[3-[(4-cyclohexyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-cyclohexyl-2-pyridinyl)-2-[3-[(4-cyclohexyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153421345
• Molecular Formula: C40H37N3OPt
• Molecular Weight: 770.83 g/mol
• Exact Mass: 770.26
• IUPAC Name: 9-(4-cyclohexyl-2-pyridinyl)-2-[3-[(4-cyclohexyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: [Pt+2].[c-]1c(Oc2cc(C3CCCCC3)ccn2)cccc1-c1[c-]c2c(cc1)c1ccccc1n2-c1cc(C2CCCCC2)ccn1
• InChI: InChI=1S/C40H37N3O.Pt/c1-3-10-28(11-4-1)32-20-22-41-39(26-32)43-37-17-8-7-16-35(37)36-19-18-31(25-38(36)43)30-14-9-15-34(24-30)44-40-27-33(21-23-42-40)29-12-5-2-6-13-29;/h7-9,14-23,26-29H,1-6,10-13H2;/q-2;+2
• InChIKey: KYNLJNIPAKOKQG-UHFFFAOYSA-N
• XLogP: 10.73
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.83
LogP ≤ 5	10.73
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-(4-cyclohexyl-2-pyridinyl)-2-[3-[(4-cyclohexyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-cyclohexyl-2-pyridinyl)-2-[3-[(4-cyclohexyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) (CID 153421345) is 9-(4-cyclohexyl-2-pyridinyl)-2-[3-[(4-cyclohexyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 9-(4-cyclohexyl-2-pyridinyl)-2-[3-[(4-cyclohexyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) is [Pt+2].[c-]1c(Oc2cc(C3CCCCC3)ccn2)cccc1-c1[c-]c2c(cc1)c1ccccc1n2-c1cc(C2CCCCC2)ccn1.

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

The InChIKey is KYNLJNIPAKOKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37N3O.Pt/c1-3-10-28(11-4-1)32-20-22-41-39(26-32)43-37-17-8-7-16-35(37)36-19-18-31(25-38(36)43)30-14-9-15-34(24-30)44-40-27-33(21-23-42-40)29-12-5-2-6-13-29;/h7-9,14-23,26-29H,1-6,10-13H2;/q-2;+2.

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

9-(4-cyclohexyl-2-pyridinyl)-2-[3-[(4-cyclohexyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 770.83 g/mol, XLogP of 10.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-cyclohexyl-2-pyridinyl)-2-[3-[(4-cyclohexyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).