platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-[3-[(4-propan-2-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide

C34H29N3OPt — CID 153421280

About platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-[3-[(4-propan-2-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide

platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-[3-[(4-propan-2-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide (PubChem CID 153421280) has the molecular formula C34H29N3OPt and a molecular weight of 690.70 g/mol. Its IUPAC name is platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-[3-[(4-propan-2-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide.

Molecular Properties

• Compound Name: platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-[3-[(4-propan-2-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide
• PubChem CID: 153421280
• Molecular Formula: C34H29N3OPt
• Molecular Weight: 690.70 g/mol
• Exact Mass: 690.20
• IUPAC Name: platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-[3-[(4-propan-2-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide
• SMILES: CC(C)c1ccnc(Oc2[c-]c(-c3[c-]c4c(cc3)c3ccccc3n4-c3cccc(C(C)C)n3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C34H29N3O.Pt/c1-22(2)24-17-18-35-34(21-24)38-27-10-7-9-25(19-27)26-15-16-29-28-11-5-6-13-31(28)37(32(29)20-26)33-14-8-12-30(36-33)23(3)4;/h5-18,21-23H,1-4H3;/q-2;+2
• InChIKey: ADOKBUJDYOQZSR-UHFFFAOYSA-N
• XLogP: 8.88
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.70
LogP ≤ 5	8.88
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 platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-[3-[(4-propan-2-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide?

The IUPAC name of platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-[3-[(4-propan-2-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide (CID 153421280) is platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-[3-[(4-propan-2-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide.

What is the SMILES notation for platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-[3-[(4-propan-2-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide?

The canonical SMILES for platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-[3-[(4-propan-2-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide is CC(C)c1ccnc(Oc2[c-]c(-c3[c-]c4c(cc3)c3ccccc3n4-c3cccc(C(C)C)n3)ccc2)c1.[Pt+2].

What is the InChIKey of platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-[3-[(4-propan-2-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide?

The InChIKey is ADOKBUJDYOQZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N3O.Pt/c1-22(2)24-17-18-35-34(21-24)38-27-10-7-9-25(19-27)26-15-16-29-28-11-5-6-13-31(28)37(32(29)20-26)33-14-8-12-30(36-33)23(3)4;/h5-18,21-23H,1-4H3;/q-2;+2.

What are the key properties of platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-[3-[(4-propan-2-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide?

platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-[3-[(4-propan-2-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide has a molecular weight of 690.70 g/mol, XLogP of 8.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);9-(6-propan-2-yl-2-pyridinyl)-2-[3-[(4-propan-2-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide is sourced from PubChem (CID 153421280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).