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

C40H37N3OPt — CID 177104620

About 9-(3-tert-butylbenzene-6-id-1-yl)-2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-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-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+) (PubChem CID 177104620) has the molecular formula C40H37N3OPt and a molecular weight of 770.83 g/mol. Its IUPAC name is 9-(3-tert-butylbenzene-6-id-1-yl)-2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-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-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+)
• PubChem CID: 177104620
• Molecular Formula: C40H37N3OPt
• Molecular Weight: 770.83 g/mol
• Exact Mass: 770.26
• IUPAC Name: 9-(3-tert-butylbenzene-6-id-1-yl)-2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+)
• SMILES: CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3[c-]ccc(C(C)(C)C)c3)cc(C(C)(C)C)c2)c2ccccc21.[Pt+4]
• InChI: InChI=1S/C40H37N3O.Pt/c1-39(2,3)27-13-12-14-29(21-27)43-35-16-9-8-15-33(35)34-20-19-31(25-38(34)43)44-32-23-28(40(4,5)6)22-30(24-32)42-26-41(7)36-17-10-11-18-37(36)42;/h8-13,15-23,26H,1-7H3;/q-4;+4
• InChIKey: UXOSELCJBCTBLU-UHFFFAOYSA-N
• XLogP: 10.28
• TPSA: 20.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.83
LogP ≤ 5	10.28
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-benzimidazol-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-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+) (CID 177104620) is 9-(3-tert-butylbenzene-6-id-1-yl)-2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-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-benzimidazol-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-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+) is CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3[c-]ccc(C(C)(C)C)c3)cc(C(C)(C)C)c2)c2ccccc21.[Pt+4].

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

The InChIKey is UXOSELCJBCTBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37N3O.Pt/c1-39(2,3)27-13-12-14-29(21-27)43-35-16-9-8-15-33(35)34-20-19-31(25-38(34)43)44-32-23-28(40(4,5)6)22-30(24-32)42-26-41(7)36-17-10-11-18-37(36)42;/h8-13,15-23,26H,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-benzimidazol-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-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+) has a molecular weight of 770.83 g/mol, XLogP of 10.28, 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-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(4+) is sourced from PubChem (CID 177104620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).