9-(4-tert-butyl-2-pyridinyl)-7-(3,5-ditert-butylphenyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C62H67N4OPt-3 — CID 155652570

About 9-(4-tert-butyl-2-pyridinyl)-7-(3,5-ditert-butylphenyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-7-(3,5-ditert-butylphenyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 155652570) has the molecular formula C62H67N4OPt-3 and a molecular weight of 1079.32 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-7-(3,5-ditert-butylphenyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-7-(3,5-ditert-butylphenyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 155652570
• Molecular Formula: C62H67N4OPt-3
• Molecular Weight: 1079.32 g/mol
• Exact Mass: 1078.50
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-7-(3,5-ditert-butylphenyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(-c2ccc3c4ccc(Oc5[c-]c(N6[CH-]N(c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7ccccc76)ccc5)[c-]c4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C62H67N4O.Pt/c1-58(2,3)42-27-28-63-57(36-42)66-55-31-40(41-29-43(59(4,5)6)32-44(30-41)60(7,8)9)23-25-51(55)52-26-24-50(38-56(52)66)67-49-20-18-19-47(37-49)64-39-65(54-22-17-16-21-53(54)64)48-34-45(61(10,11)12)33-46(35-48)62(13,14)15;/h16-36,39H,1-15H3;/q-3
• InChIKey: SSHXSJDRHDKPDS-UHFFFAOYSA-N
• XLogP: 17.13
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1079.32
LogP ≤ 5	17.13
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 9-(4-tert-butyl-2-pyridinyl)-7-(3,5-ditert-butylphenyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-7-(3,5-ditert-butylphenyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 155652570) is 9-(4-tert-butyl-2-pyridinyl)-7-(3,5-ditert-butylphenyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-7-(3,5-ditert-butylphenyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-7-(3,5-ditert-butylphenyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(-c2ccc3c4ccc(Oc5[c-]c(N6[CH-]N(c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7ccccc76)ccc5)[c-]c4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-7-(3,5-ditert-butylphenyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is SSHXSJDRHDKPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H67N4O.Pt/c1-58(2,3)42-27-28-63-57(36-42)66-55-31-40(41-29-43(59(4,5)6)32-44(30-41)60(7,8)9)23-25-51(55)52-26-24-50(38-56(52)66)67-49-20-18-19-47(37-49)64-39-65(54-22-17-16-21-53(54)64)48-34-45(61(10,11)12)33-46(35-48)62(13,14)15;/h16-36,39H,1-15H3;/q-3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-7-(3,5-ditert-butylphenyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-7-(3,5-ditert-butylphenyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1079.32 g/mol, XLogP of 17.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-7-(3,5-ditert-butylphenyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 155652570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).