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

C33H25N3O2Pt — CID 153421470

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

9-(4-cyclobutyl-2-pyridinyl)-2-[3-[(4-methoxy-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421470) has the molecular formula C33H25N3O2Pt and a molecular weight of 690.66 g/mol. Its IUPAC name is 9-(4-cyclobutyl-2-pyridinyl)-2-[3-[(4-methoxy-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-cyclobutyl-2-pyridinyl)-2-[3-[(4-methoxy-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153421470
• Molecular Formula: C33H25N3O2Pt
• Molecular Weight: 690.66 g/mol
• Exact Mass: 690.16
• IUPAC Name: 9-(4-cyclobutyl-2-pyridinyl)-2-[3-[(4-methoxy-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: COc1ccnc(Oc2[c-]c(-c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C4CCC4)ccn3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C33H25N3O2.Pt/c1-37-26-15-17-35-33(21-26)38-27-9-5-8-23(18-27)24-12-13-29-28-10-2-3-11-30(28)36(31(29)19-24)32-20-25(14-16-34-32)22-6-4-7-22;/h2-3,5,8-17,20-22H,4,6-7H2,1H3;/q-2;+2
• InChIKey: OJLGPVSBACSSAO-UHFFFAOYSA-N
• XLogP: 7.91
• TPSA: 49.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.66
LogP ≤ 5	7.91
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-cyclobutyl-2-pyridinyl)-2-[3-[(4-methoxy-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-cyclobutyl-2-pyridinyl)-2-[3-[(4-methoxy-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) (CID 153421470) is 9-(4-cyclobutyl-2-pyridinyl)-2-[3-[(4-methoxy-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 9-(4-cyclobutyl-2-pyridinyl)-2-[3-[(4-methoxy-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) is COc1ccnc(Oc2[c-]c(-c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C4CCC4)ccn3)ccc2)c1.[Pt+2].

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

The InChIKey is OJLGPVSBACSSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3O2.Pt/c1-37-26-15-17-35-33(21-26)38-27-9-5-8-23(18-27)24-12-13-29-28-10-2-3-11-30(28)36(31(29)19-24)32-20-25(14-16-34-32)22-6-4-7-22;/h2-3,5,8-17,20-22H,4,6-7H2,1H3;/q-2;+2.

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

9-(4-cyclobutyl-2-pyridinyl)-2-[3-[(4-methoxy-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 690.66 g/mol, XLogP of 7.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-cyclobutyl-2-pyridinyl)-2-[3-[(4-methoxy-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).