2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C74H65F10N4OPt-3 — CID 172530358

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

2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 172530358) has the molecular formula C74H65F10N4OPt-3 and a molecular weight of 1411.42 g/mol. Its IUPAC name is 2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 172530358
• Molecular Formula: C74H65F10N4OPt-3
• Molecular Weight: 1411.42 g/mol
• Exact Mass: 1410.47
• IUPAC Name: 2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7c(F)c(F)c(F)c(F)c7F)cc(C(C)(C)C)cc6-c6c(F)c(F)c(F)c(F)c6F)c6ccccc65)cc(-c5c(C(C)(C)C)cc(C(C)(C)C)cc5C(C)(C)C)c4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C74H65F10N4O.Pt/c1-70(2,3)39-26-27-85-55(34-39)88-51-21-17-16-20-45(51)46-25-24-43(36-54(46)88)89-44-29-38(56-49(73(10,11)12)32-41(72(7,8)9)33-50(56)74(13,14)15)28-42(35-44)86-37-87(53-23-19-18-22-52(53)86)69-47(57-59(75)63(79)67(83)64(80)60(57)76)30-40(71(4,5)6)31-48(69)58-61(77)65(81)68(84)66(82)62(58)78;/h16-34,37H,1-15H3;/q-3
• InChIKey: HAVOJJLYLGXAHF-UHFFFAOYSA-N
• XLogP: 21.86
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1411.42
LogP ≤ 5	21.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 172530358) is 2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7c(F)c(F)c(F)c(F)c7F)cc(C(C)(C)C)cc6-c6c(F)c(F)c(F)c(F)c6F)c6ccccc65)cc(-c5c(C(C)(C)C)cc(C(C)(C)C)cc5C(C)(C)C)c4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is HAVOJJLYLGXAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H65F10N4O.Pt/c1-70(2,3)39-26-27-85-55(34-39)88-51-21-17-16-20-45(51)46-25-24-43(36-54(46)88)89-44-29-38(56-49(73(10,11)12)32-41(72(7,8)9)33-50(56)74(13,14)15)28-42(35-44)86-37-87(53-23-19-18-22-52(53)86)69-47(57-59(75)63(79)67(83)64(80)60(57)76)30-40(71(4,5)6)31-48(69)58-61(77)65(81)68(84)66(82)62(58)78;/h16-34,37H,1-15H3;/q-3;.

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

2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1411.42 g/mol, XLogP of 21.86, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172530358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).