9-(3-tert-butylbenzene-6-id-1-yl)-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+)

C36H35N3OPt — CID 177104313

About 9-(3-tert-butylbenzene-6-id-1-yl)-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+)

9-(3-tert-butylbenzene-6-id-1-yl)-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+) (PubChem CID 177104313) has the molecular formula C36H35N3OPt and a molecular weight of 720.77 g/mol. Its IUPAC name is 9-(3-tert-butylbenzene-6-id-1-yl)-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+).

Molecular Properties

• Compound Name: 9-(3-tert-butylbenzene-6-id-1-yl)-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+)
• PubChem CID: 177104313
• Molecular Formula: C36H35N3OPt
• Molecular Weight: 720.77 g/mol
• Exact Mass: 720.24
• IUPAC Name: 9-(3-tert-butylbenzene-6-id-1-yl)-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+)
• SMILES: CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3[c-]ccc(C(C)(C)C)c3)cc(C(C)(C)C)c2)[CH-]1.[Pt+4]
• InChI: InChI=1S/C36H35N3O.Pt/c1-35(2,3)25-11-10-12-27(19-25)39-33-14-9-8-13-31(33)32-16-15-29(23-34(32)39)40-30-21-26(36(4,5)6)20-28(22-30)38-18-17-37(7)24-38;/h8-11,13-21,24H,1-7H3;/q-4;+4
• InChIKey: WYBRGQCBJARIIN-UHFFFAOYSA-N
• XLogP: 8.91
• TPSA: 20.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.77
LogP ≤ 5	8.91
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-(3-tert-butylbenzene-6-id-1-yl)-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+)?

The IUPAC name of 9-(3-tert-butylbenzene-6-id-1-yl)-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+) (CID 177104313) is 9-(3-tert-butylbenzene-6-id-1-yl)-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+).

What is the SMILES notation for 9-(3-tert-butylbenzene-6-id-1-yl)-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+)?

The canonical SMILES for 9-(3-tert-butylbenzene-6-id-1-yl)-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+) is CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3[c-]ccc(C(C)(C)C)c3)cc(C(C)(C)C)c2)[CH-]1.[Pt+4].

What is the InChIKey of 9-(3-tert-butylbenzene-6-id-1-yl)-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+)?

The InChIKey is WYBRGQCBJARIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N3O.Pt/c1-35(2,3)25-11-10-12-27(19-25)39-33-14-9-8-13-31(33)32-16-15-29(23-34(32)39)40-30-21-26(36(4,5)6)20-28(22-30)38-18-17-37(7)24-38;/h8-11,13-21,24H,1-7H3;/q-4;+4.

What are the key properties of 9-(3-tert-butylbenzene-6-id-1-yl)-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+)?

9-(3-tert-butylbenzene-6-id-1-yl)-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+) has a molecular weight of 720.77 g/mol, XLogP of 8.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-tert-butylbenzene-6-id-1-yl)-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+) is sourced from PubChem (CID 177104313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).