3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum

C76H67F5N5OPt-3 — CID 172531390

About 3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum

3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum (PubChem CID 172531390) has the molecular formula C76H67F5N5OPt-3 and a molecular weight of 1356.47 g/mol. Its IUPAC name is 3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum.

Molecular Properties

• Compound Name: 3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum
• PubChem CID: 172531390
• Molecular Formula: C76H67F5N5OPt-3
• Molecular Weight: 1356.47 g/mol
• Exact Mass: 1355.49
• IUPAC Name: 3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(-c3c(F)c(F)c(F)c(F)c3F)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(N(c4ccccc4)c4ccccc4)c3)c3ccccc32)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C76H67F5N5O.Pt/c1-73(2,3)47-33-34-82-65(40-47)86-61-28-20-19-27-57(61)58-32-31-55(44-64(58)86)87-56-42-53(41-54(43-56)85(51-23-15-13-16-24-51)52-25-17-14-18-26-52)83-45-84(63-30-22-21-29-62(63)83)72-59(46-35-48(74(4,5)6)37-49(36-46)75(7,8)9)38-50(76(10,11)12)39-60(72)66-67(77)69(79)71(81)70(80)68(66)78;/h13-41,43,45H,1-12H3;/q-3
• InChIKey: JNFMRDCCLZXLKH-UHFFFAOYSA-N
• XLogP: 21.67
• TPSA: 36.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1356.47
LogP ≤ 5	21.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum?

The IUPAC name of 3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum (CID 172531390) is 3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum.

What is the SMILES notation for 3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum?

The canonical SMILES for 3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum is CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(-c3c(F)c(F)c(F)c(F)c3F)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(N(c4ccccc4)c4ccccc4)c3)c3ccccc32)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum?

The InChIKey is JNFMRDCCLZXLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H67F5N5O.Pt/c1-73(2,3)47-33-34-82-65(40-47)86-61-28-20-19-27-57(61)58-32-31-55(44-64(58)86)87-56-42-53(41-54(43-56)85(51-23-15-13-16-24-51)52-25-17-14-18-26-52)83-45-84(63-30-22-21-29-62(63)83)72-59(46-35-48(74(4,5)6)37-49(36-46)75(7,8)9)38-50(76(10,11)12)39-60(72)66-67(77)69(79)71(81)70(80)68(66)78;/h13-41,43,45H,1-12H3;/q-3;.

What are the key properties of 3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum?

3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum has a molecular weight of 1356.47 g/mol, XLogP of 21.67, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum is sourced from PubChem (CID 172531390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).