9-[5,6-di(propan-2-yl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)

C34H29N3OPt — CID 153421270

About 9-[5,6-di(propan-2-yl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)

9-[5,6-di(propan-2-yl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421270) has the molecular formula C34H29N3OPt and a molecular weight of 690.70 g/mol. Its IUPAC name is 9-[5,6-di(propan-2-yl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-[5,6-di(propan-2-yl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153421270
• Molecular Formula: C34H29N3OPt
• Molecular Weight: 690.70 g/mol
• Exact Mass: 690.20
• IUPAC Name: 9-[5,6-di(propan-2-yl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)c1ccc(-n2c3[c-]c(-c4[c-]c(Oc5ccccn5)ccc4)ccc3c3ccccc32)nc1C(C)C.[Pt+2]
• InChI: InChI=1S/C34H29N3O.Pt/c1-22(2)27-17-18-32(36-34(27)23(3)4)37-30-13-6-5-12-28(30)29-16-15-25(21-31(29)37)24-10-9-11-26(20-24)38-33-14-7-8-19-35-33;/h5-19,22-23H,1-4H3;/q-2;+2
• InChIKey: CHUGXKVFDMBSSL-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 9-[5,6-di(propan-2-yl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-[5,6-di(propan-2-yl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) (CID 153421270) is 9-[5,6-di(propan-2-yl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-[5,6-di(propan-2-yl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-[5,6-di(propan-2-yl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) is CC(C)c1ccc(-n2c3[c-]c(-c4[c-]c(Oc5ccccn5)ccc4)ccc3c3ccccc32)nc1C(C)C.[Pt+2].

What is the InChIKey of 9-[5,6-di(propan-2-yl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

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

What are the key properties of 9-[5,6-di(propan-2-yl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

9-[5,6-di(propan-2-yl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) 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 9-[5,6-di(propan-2-yl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).