7-(2-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C50H42N4OPt-2 — CID 167345528

About 7-(2-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

7-(2-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 167345528) has the molecular formula C50H42N4OPt-2 and a molecular weight of 909.99 g/mol. Its IUPAC name is 7-(2-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 7-(2-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 167345528
• Molecular Formula: C50H42N4OPt-2
• Molecular Weight: 909.99 g/mol
• Exact Mass: 909.30
• IUPAC Name: 7-(2-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccc(-c4ccccc4C(C)(C)C)cc32)c1.[Pt]
• InChI: InChI=1S/C50H42N4O.Pt/c1-49(2,3)35-27-28-51-48(30-35)54-46-29-34(40-19-10-11-20-43(40)50(4,5)6)23-25-41(46)42-26-24-39(32-47(42)54)55-38-18-14-17-37(31-38)53-33-52(36-15-8-7-9-16-36)44-21-12-13-22-45(44)53;/h7-30H,1-6H3;/q-2
• InChIKey: YBJADALKHDZJPX-UHFFFAOYSA-N
• XLogP: 11.85
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.99
LogP ≤ 5	11.85
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(2-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 7-(2-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 167345528) is 7-(2-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 7-(2-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 7-(2-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccc(-c4ccccc4C(C)(C)C)cc32)c1.[Pt].

What is the InChIKey of 7-(2-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is YBJADALKHDZJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N4O.Pt/c1-49(2,3)35-27-28-51-48(30-35)54-46-29-34(40-19-10-11-20-43(40)50(4,5)6)23-25-41(46)42-26-24-39(32-47(42)54)55-38-18-14-17-37(31-38)53-33-52(36-15-8-7-9-16-36)44-21-12-13-22-45(44)53;/h7-30H,1-6H3;/q-2;.

What are the key properties of 7-(2-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

7-(2-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 909.99 g/mol, XLogP of 11.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 167345528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).