9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-dipropyl-1H-carbazol-1-ide;platinum

C66H67N4OPt-3 — CID 177128647

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-dipropyl-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-dipropyl-1H-carbazol-1-ide;platinum (PubChem CID 177128647) has the molecular formula C66H67N4OPt-3 and a molecular weight of 1127.37 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-dipropyl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-dipropyl-1H-carbazol-1-ide;platinum
• PubChem CID: 177128647
• Molecular Formula: C66H67N4OPt-3
• Molecular Weight: 1127.37 g/mol
• Exact Mass: 1126.50
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-dipropyl-1H-carbazol-1-ide;platinum
• SMILES: CCCc1ccc2c(c1CCC)c1ccc(Oc3[c-]c(N4[CH-]N(c5c(-c6ccccc6)cccc5-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c5ccccc54)ccc3)[c-]c1n2-c1cc(C(C)(C)C)ccn1.[Pt]
• InChI: InChI=1S/C66H67N4O.Pt/c1-12-21-44-31-34-59-62(53(44)22-13-2)56-33-32-52(42-60(56)70(59)61-40-47(35-36-67-61)64(3,4)5)71-51-26-19-25-50(41-51)68-43-69(58-30-18-17-29-57(58)68)63-54(45-23-15-14-16-24-45)27-20-28-55(63)46-37-48(65(6,7)8)39-49(38-46)66(9,10)11;/h14-20,23-40,43H,12-13,21-22H2,1-11H3;/q-3
• InChIKey: SRCNTLYMAXRECF-UHFFFAOYSA-N
• XLogP: 18.11
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1127.37
LogP ≤ 5	18.11
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)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-dipropyl-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-dipropyl-1H-carbazol-1-ide;platinum (CID 177128647) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-dipropyl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-dipropyl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-dipropyl-1H-carbazol-1-ide;platinum is CCCc1ccc2c(c1CCC)c1ccc(Oc3[c-]c(N4[CH-]N(c5c(-c6ccccc6)cccc5-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c5ccccc54)ccc3)[c-]c1n2-c1cc(C(C)(C)C)ccn1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-dipropyl-1H-carbazol-1-ide;platinum?

The InChIKey is SRCNTLYMAXRECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H67N4O.Pt/c1-12-21-44-31-34-59-62(53(44)22-13-2)56-33-32-52(42-60(56)70(59)61-40-47(35-36-67-61)64(3,4)5)71-51-26-19-25-50(41-51)68-43-69(58-30-18-17-29-57(58)68)63-54(45-23-15-14-16-24-45)27-20-28-55(63)46-37-48(65(6,7)8)39-49(38-46)66(9,10)11;/h14-20,23-40,43H,12-13,21-22H2,1-11H3;/q-3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-dipropyl-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-dipropyl-1H-carbazol-1-ide;platinum has a molecular weight of 1127.37 g/mol, XLogP of 18.11, 11 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)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-dipropyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 177128647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).