9-[4-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3,5-diphenylphenyl]-9-phenylfluorene-2-carbonitrile;platinum

C72H50N5OPt-3 — CID 172545786

About 9-[4-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3,5-diphenylphenyl]-9-phenylfluorene-2-carbonitrile;platinum

9-[4-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3,5-diphenylphenyl]-9-phenylfluorene-2-carbonitrile;platinum (PubChem CID 172545786) has the molecular formula C72H50N5OPt-3 and a molecular weight of 1196.30 g/mol. Its IUPAC name is 9-[4-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3,5-diphenylphenyl]-9-phenylfluorene-2-carbonitrile;platinum.

Molecular Properties

• Compound Name: 9-[4-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3,5-diphenylphenyl]-9-phenylfluorene-2-carbonitrile;platinum
• PubChem CID: 172545786
• Molecular Formula: C72H50N5OPt-3
• Molecular Weight: 1196.30 g/mol
• Exact Mass: 1195.37
• IUPAC Name: 9-[4-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3,5-diphenylphenyl]-9-phenylfluorene-2-carbonitrile;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cc(C7(c8ccccc8)c8ccccc8-c8ccc(C#N)cc87)cc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C72H50N5O.Pt/c1-71(2,3)52-38-39-74-69(43-52)77-65-31-16-14-29-59(65)60-37-35-56(45-68(60)77)78-55-27-19-26-54(44-55)75-47-76(67-33-18-17-32-66(67)75)70-61(49-20-7-4-8-21-49)41-53(42-62(70)50-22-9-5-10-23-50)72(51-24-11-6-12-25-51)63-30-15-13-28-57(63)58-36-34-48(46-73)40-64(58)72;/h4-43,47H,1-3H3;/q-3
• InChIKey: VCYMRAKEKULJDP-UHFFFAOYSA-N
• XLogP: 17.84
• TPSA: 57.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1196.30
LogP ≤ 5	17.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3,5-diphenylphenyl]-9-phenylfluorene-2-carbonitrile;platinum?

The IUPAC name of 9-[4-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3,5-diphenylphenyl]-9-phenylfluorene-2-carbonitrile;platinum (CID 172545786) is 9-[4-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3,5-diphenylphenyl]-9-phenylfluorene-2-carbonitrile;platinum.

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

The canonical SMILES for 9-[4-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3,5-diphenylphenyl]-9-phenylfluorene-2-carbonitrile;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cc(C7(c8ccccc8)c8ccccc8-c8ccc(C#N)cc87)cc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is VCYMRAKEKULJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50N5O.Pt/c1-71(2,3)52-38-39-74-69(43-52)77-65-31-16-14-29-59(65)60-37-35-56(45-68(60)77)78-55-27-19-26-54(44-55)75-47-76(67-33-18-17-32-66(67)75)70-61(49-20-7-4-8-21-49)41-53(42-62(70)50-22-9-5-10-23-50)72(51-24-11-6-12-25-51)63-30-15-13-28-57(63)58-36-34-48(46-73)40-64(58)72;/h4-43,47H,1-3H3;/q-3;.

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

9-[4-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3,5-diphenylphenyl]-9-phenylfluorene-2-carbonitrile;platinum has a molecular weight of 1196.30 g/mol, XLogP of 17.84, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-3,5-diphenylphenyl]-9-phenylfluorene-2-carbonitrile;platinum is sourced from PubChem (CID 172545786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).