2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C47H45N4OPt-3 — CID 155651202

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

2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 155651202) has the molecular formula C47H45N4OPt-3 and a molecular weight of 876.98 g/mol. Its IUPAC name is 2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 155651202
• Molecular Formula: C47H45N4OPt-3
• Molecular Weight: 876.98 g/mol
• Exact Mass: 876.33
• IUPAC Name: 2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cccc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C(C)(C)C)ccn4)ccc3)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C47H45N4O.Pt/c1-45(2,3)32-15-13-16-34(27-32)49-31-50(42-22-12-11-21-41(42)49)35-17-14-18-36(29-35)52-37-23-24-39-38-19-9-10-20-40(38)51(43(39)30-37)44-28-33(25-26-48-44)47(7,8)46(4,5)6;/h9-28,31H,1-8H3;/q-3
• InChIKey: WDDYFSVZCGUCHV-UHFFFAOYSA-N
• XLogP: 12.60
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	876.98
LogP ≤ 5	12.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 155651202) is 2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)(C)c1cccc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C(C)(C)C)ccn4)ccc3)c3ccccc32)c1.[Pt].

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

The InChIKey is WDDYFSVZCGUCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H45N4O.Pt/c1-45(2,3)32-15-13-16-34(27-32)49-31-50(42-22-12-11-21-41(42)49)35-17-14-18-36(29-35)52-37-23-24-39-38-19-9-10-20-40(38)51(43(39)30-37)44-28-33(25-26-48-44)47(7,8)46(4,5)6;/h9-28,31H,1-8H3;/q-3;.

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

2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 876.98 g/mol, XLogP of 12.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 155651202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).