9-phenyl-3-pyridin-2-yloxy-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrocarbazole-4,5-diide;platinum(2+)

C31H23N3OPt — CID 153433428

About 9-phenyl-3-pyridin-2-yloxy-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrocarbazole-4,5-diide;platinum(2+)

9-phenyl-3-pyridin-2-yloxy-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrocarbazole-4,5-diide;platinum(2+) (PubChem CID 153433428) has the molecular formula C31H23N3OPt and a molecular weight of 648.62 g/mol. Its IUPAC name is 9-phenyl-3-pyridin-2-yloxy-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrocarbazole-4,5-diide;platinum(2+).

Molecular Properties

• Compound Name: 9-phenyl-3-pyridin-2-yloxy-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrocarbazole-4,5-diide;platinum(2+)
• PubChem CID: 153433428
• Molecular Formula: C31H23N3OPt
• Molecular Weight: 648.62 g/mol
• Exact Mass: 648.15
• IUPAC Name: 9-phenyl-3-pyridin-2-yloxy-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrocarbazole-4,5-diide;platinum(2+)
• SMILES: CC(C)(c1[c-]c2c3[c-]c(Oc4ccccn4)ccc3n(-c3ccccc3)c2cc1)c1ccccn1.[Pt+2]
• InChI: InChI=1S/C31H23N3O.Pt/c1-31(2,29-12-6-8-18-32-29)22-14-16-27-25(20-22)26-21-24(35-30-13-7-9-19-33-30)15-17-28(26)34(27)23-10-4-3-5-11-23;/h3-19H,1-2H3;/q-2;+2
• InChIKey: YDOFCQRLWQVTQO-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.62
LogP ≤ 5	7.29
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-phenyl-3-pyridin-2-yloxy-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrocarbazole-4,5-diide;platinum(2+)?

The IUPAC name of 9-phenyl-3-pyridin-2-yloxy-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrocarbazole-4,5-diide;platinum(2+) (CID 153433428) is 9-phenyl-3-pyridin-2-yloxy-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrocarbazole-4,5-diide;platinum(2+).

What is the SMILES notation for 9-phenyl-3-pyridin-2-yloxy-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrocarbazole-4,5-diide;platinum(2+)?

The canonical SMILES for 9-phenyl-3-pyridin-2-yloxy-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrocarbazole-4,5-diide;platinum(2+) is CC(C)(c1[c-]c2c3[c-]c(Oc4ccccn4)ccc3n(-c3ccccc3)c2cc1)c1ccccn1.[Pt+2].

What is the InChIKey of 9-phenyl-3-pyridin-2-yloxy-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrocarbazole-4,5-diide;platinum(2+)?

The InChIKey is YDOFCQRLWQVTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3O.Pt/c1-31(2,29-12-6-8-18-32-29)22-14-16-27-25(20-22)26-21-24(35-30-13-7-9-19-33-30)15-17-28(26)34(27)23-10-4-3-5-11-23;/h3-19H,1-2H3;/q-2;+2.

What are the key properties of 9-phenyl-3-pyridin-2-yloxy-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrocarbazole-4,5-diide;platinum(2+)?

9-phenyl-3-pyridin-2-yloxy-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrocarbazole-4,5-diide;platinum(2+) has a molecular weight of 648.62 g/mol, XLogP of 7.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-3-pyridin-2-yloxy-6-(2-pyridin-2-ylpropan-2-yl)-4,5-dihydrocarbazole-4,5-diide;platinum(2+) is sourced from PubChem (CID 153433428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).