3-[3-[2-[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-1-methyl-2,1,3-benzoxadiazol-2-ium;platinum

C45H43N4OPt- — CID 162465273

About 3-[3-[2-[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-1-methyl-2,1,3-benzoxadiazol-2-ium;platinum

3-[3-[2-[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-1-methyl-2,1,3-benzoxadiazol-2-ium;platinum (PubChem CID 162465273) has the molecular formula C45H43N4OPt- and a molecular weight of 850.94 g/mol. Its IUPAC name is 3-[3-[2-[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-1-methyl-2,1,3-benzoxadiazol-2-ium;platinum.

Molecular Properties

• Compound Name: 3-[3-[2-[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-1-methyl-2,1,3-benzoxadiazol-2-ium;platinum
• PubChem CID: 162465273
• Molecular Formula: C45H43N4OPt-
• Molecular Weight: 850.94 g/mol
• Exact Mass: 850.31
• IUPAC Name: 3-[3-[2-[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-1-methyl-2,1,3-benzoxadiazol-2-ium;platinum
• SMILES: CC(C)c1cccc(C(C)C)c1-c1ccnc(-n2c3[c-]c(C(C)(C)c4[c-]c(N5[OH+]N(C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C45H42N4O.Pt/c1-29(2)35-17-13-18-36(30(3)4)44(35)31-24-25-46-43(26-31)48-39-19-9-8-16-37(39)38-23-22-33(28-42(38)48)45(5,6)32-14-12-15-34(27-32)49-41-21-11-10-20-40(41)47(7)50-49;/h8-26,29-30H,1-7H3;/q-2;/p+1
• InChIKey: XDAHXNOBIQVRNC-UHFFFAOYSA-O
• XLogP: 11.44
• TPSA: 37.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	850.94
LogP ≤ 5	11.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-1-methyl-2,1,3-benzoxadiazol-2-ium;platinum?

The IUPAC name of 3-[3-[2-[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-1-methyl-2,1,3-benzoxadiazol-2-ium;platinum (CID 162465273) is 3-[3-[2-[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-1-methyl-2,1,3-benzoxadiazol-2-ium;platinum.

What is the SMILES notation for 3-[3-[2-[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-1-methyl-2,1,3-benzoxadiazol-2-ium;platinum?

The canonical SMILES for 3-[3-[2-[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-1-methyl-2,1,3-benzoxadiazol-2-ium;platinum is CC(C)c1cccc(C(C)C)c1-c1ccnc(-n2c3[c-]c(C(C)(C)c4[c-]c(N5[OH+]N(C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 3-[3-[2-[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-1-methyl-2,1,3-benzoxadiazol-2-ium;platinum?

The InChIKey is XDAHXNOBIQVRNC-UHFFFAOYSA-O. The full InChI is InChI=1S/C45H42N4O.Pt/c1-29(2)35-17-13-18-36(30(3)4)44(35)31-24-25-46-43(26-31)48-39-19-9-8-16-37(39)38-23-22-33(28-42(38)48)45(5,6)32-14-12-15-34(27-32)49-41-21-11-10-20-40(41)47(7)50-49;/h8-26,29-30H,1-7H3;/q-2;/p+1.

What are the key properties of 3-[3-[2-[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-1-methyl-2,1,3-benzoxadiazol-2-ium;platinum?

3-[3-[2-[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-1-methyl-2,1,3-benzoxadiazol-2-ium;platinum has a molecular weight of 850.94 g/mol, XLogP of 11.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2-[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-1-methyl-2,1,3-benzoxadiazol-2-ium;platinum is sourced from PubChem (CID 162465273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).