[1-[3-tert-butyl-5-[[24-cyano-11-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5(10),6,8,12,16,18,20,22(26),23-dodecaen-8-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

C72H50N6OPt — CID 171596074

About [1-[3-tert-butyl-5-[[24-cyano-11-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5(10),6,8,12,16,18,20,22(26),23-dodecaen-8-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

[1-[3-tert-butyl-5-[[24-cyano-11-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5(10),6,8,12,16,18,20,22(26),23-dodecaen-8-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 171596074) has the molecular formula C72H50N6OPt and a molecular weight of 1213.33 g/mol. Its IUPAC name is [1-[3-tert-butyl-5-[[24-cyano-11-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5(10),6,8,12,16,18,20,22(26),23-dodecaen-8-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-tert-butyl-5-[[24-cyano-11-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5(10),6,8,12,16,18,20,22(26),23-dodecaen-8-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• PubChem CID: 171596074
• Molecular Formula: C72H50N6OPt
• Molecular Weight: 1213.33 g/mol
• Exact Mass: 1212.39
• IUPAC Name: [1-[3-tert-butyl-5-[[24-cyano-11-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5(10),6,8,12,16,18,20,22(26),23-dodecaen-8-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• SMILES: [2H]C([2H])([2H])c1cc(-n2c3cc(Oc4cc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)cc(C(C)(C)C)c4)ccc3c3cc4c5cc(C#N)cc6c7ccccc7n(c4cc32)c65)ncc1-c1ccccc1
• InChI: InChI=1S/C72H50N6O.Pt/c1-45-33-69(74-43-62(45)49-23-12-7-13-24-49)77-66-39-52(31-32-57(66)58-40-59-61-35-46(42-73)34-60-56-25-14-15-28-63(56)78(71(60)61)68(59)41-67(58)77)79-53-37-50(72(2,3)4)36-51(38-53)75-44-76(65-30-17-16-29-64(65)75)70-54(47-19-8-5-9-20-47)26-18-27-55(70)48-21-10-6-11-22-48;/h5-41,43H,1-4H3;/i1D3
• InChIKey: UOCCOOXLGSDJFN-NIIDSAIPSA-N
• XLogP: 18.41
• TPSA: 65.11 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1213.33
LogP ≤ 5	18.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[3-tert-butyl-5-[[24-cyano-11-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5(10),6,8,12,16,18,20,22(26),23-dodecaen-8-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-tert-butyl-5-[[24-cyano-11-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5(10),6,8,12,16,18,20,22(26),23-dodecaen-8-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 171596074) is [1-[3-tert-butyl-5-[[24-cyano-11-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5(10),6,8,12,16,18,20,22(26),23-dodecaen-8-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-tert-butyl-5-[[24-cyano-11-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5(10),6,8,12,16,18,20,22(26),23-dodecaen-8-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-tert-butyl-5-[[24-cyano-11-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5(10),6,8,12,16,18,20,22(26),23-dodecaen-8-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is [2H]C([2H])([2H])c1cc(-n2c3cc(Oc4cc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)cc(C(C)(C)C)c4)ccc3c3cc4c5cc(C#N)cc6c7ccccc7n(c4cc32)c65)ncc1-c1ccccc1.

What is the InChIKey of [1-[3-tert-butyl-5-[[24-cyano-11-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5(10),6,8,12,16,18,20,22(26),23-dodecaen-8-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The InChIKey is UOCCOOXLGSDJFN-NIIDSAIPSA-N. The full InChI is InChI=1S/C72H50N6O.Pt/c1-45-33-69(74-43-62(45)49-23-12-7-13-24-49)77-66-39-52(31-32-57(66)58-40-59-61-35-46(42-73)34-60-56-25-14-15-28-63(56)78(71(60)61)68(59)41-67(58)77)79-53-37-50(72(2,3)4)36-51(38-53)75-44-76(65-30-17-16-29-64(65)75)70-54(47-19-8-5-9-20-47)26-18-27-55(70)48-21-10-6-11-22-48;/h5-41,43H,1-4H3;/i1D3;.

What are the key properties of [1-[3-tert-butyl-5-[[24-cyano-11-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5(10),6,8,12,16,18,20,22(26),23-dodecaen-8-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

[1-[3-tert-butyl-5-[[24-cyano-11-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5(10),6,8,12,16,18,20,22(26),23-dodecaen-8-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 1213.33 g/mol, XLogP of 18.41, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-tert-butyl-5-[[24-cyano-11-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5(10),6,8,12,16,18,20,22(26),23-dodecaen-8-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 171596074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).