[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[(11-pyridin-2-yl-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2,4(12),5(10),6,8,13,16,18,20,22(26),23-dodecaen-8-yl)oxy]-4-(trideuteriomethyl)phenyl]benzimidazol-2-ylidene]platinum

C65H47N5OPt — CID 171595890

About [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[(11-pyridin-2-yl-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2,4(12),5(10),6,8,13,16,18,20,22(26),23-dodecaen-8-yl)oxy]-4-(trideuteriomethyl)phenyl]benzimidazol-2-ylidene]platinum

[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[(11-pyridin-2-yl-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2,4(12),5(10),6,8,13,16,18,20,22(26),23-dodecaen-8-yl)oxy]-4-(trideuteriomethyl)phenyl]benzimidazol-2-ylidene]platinum (PubChem CID 171595890) has the molecular formula C65H47N5OPt and a molecular weight of 1112.22 g/mol. Its IUPAC name is [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[(11-pyridin-2-yl-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2,4(12),5(10),6,8,13,16,18,20,22(26),23-dodecaen-8-yl)oxy]-4-(trideuteriomethyl)phenyl]benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[(11-pyridin-2-yl-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2,4(12),5(10),6,8,13,16,18,20,22(26),23-dodecaen-8-yl)oxy]-4-(trideuteriomethyl)phenyl]benzimidazol-2-ylidene]platinum
• PubChem CID: 171595890
• Molecular Formula: C65H47N5OPt
• Molecular Weight: 1112.22 g/mol
• Exact Mass: 1111.36
• IUPAC Name: [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[(11-pyridin-2-yl-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2,4(12),5(10),6,8,13,16,18,20,22(26),23-dodecaen-8-yl)oxy]-4-(trideuteriomethyl)phenyl]benzimidazol-2-ylidene]platinum
• SMILES: [2H]C([2H])([2H])c1ccc(-n2c(=[Pt])n(-c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)c3ccccc32)cc1Oc1ccc2c3cc4c5cccc6c7ccccc7n(c4cc3n(-c3ccccn3)c2c1)c65
• InChI: InChI=1S/C65H47N5O.Pt/c1-41-29-30-45(67-40-68(57-27-14-13-26-56(57)67)63-51(42-18-7-5-8-19-42)34-44(65(2,3)4)35-52(63)43-20-9-6-10-21-43)36-61(41)71-46-31-32-48-53-38-54-50-24-17-23-49-47-22-11-12-25-55(47)70(64(49)50)60(54)39-59(53)69(58(48)37-46)62-28-15-16-33-66-62;/h5-39H,1-4H3;/i1D3
• InChIKey: JBWSJGYJOMHPMB-NIIDSAIPSA-N
• XLogP: 16.87
• TPSA: 41.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1112.22
LogP ≤ 5	16.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[(11-pyridin-2-yl-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2,4(12),5(10),6,8,13,16,18,20,22(26),23-dodecaen-8-yl)oxy]-4-(trideuteriomethyl)phenyl]benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[(11-pyridin-2-yl-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2,4(12),5(10),6,8,13,16,18,20,22(26),23-dodecaen-8-yl)oxy]-4-(trideuteriomethyl)phenyl]benzimidazol-2-ylidene]platinum (CID 171595890) is [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[(11-pyridin-2-yl-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2,4(12),5(10),6,8,13,16,18,20,22(26),23-dodecaen-8-yl)oxy]-4-(trideuteriomethyl)phenyl]benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[(11-pyridin-2-yl-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2,4(12),5(10),6,8,13,16,18,20,22(26),23-dodecaen-8-yl)oxy]-4-(trideuteriomethyl)phenyl]benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[(11-pyridin-2-yl-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2,4(12),5(10),6,8,13,16,18,20,22(26),23-dodecaen-8-yl)oxy]-4-(trideuteriomethyl)phenyl]benzimidazol-2-ylidene]platinum is [2H]C([2H])([2H])c1ccc(-n2c(=[Pt])n(-c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)c3ccccc32)cc1Oc1ccc2c3cc4c5cccc6c7ccccc7n(c4cc3n(-c3ccccn3)c2c1)c65.

What is the InChIKey of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[(11-pyridin-2-yl-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2,4(12),5(10),6,8,13,16,18,20,22(26),23-dodecaen-8-yl)oxy]-4-(trideuteriomethyl)phenyl]benzimidazol-2-ylidene]platinum?

The InChIKey is JBWSJGYJOMHPMB-NIIDSAIPSA-N. The full InChI is InChI=1S/C65H47N5O.Pt/c1-41-29-30-45(67-40-68(57-27-14-13-26-56(57)67)63-51(42-18-7-5-8-19-42)34-44(65(2,3)4)35-52(63)43-20-9-6-10-21-43)36-61(41)71-46-31-32-48-53-38-54-50-24-17-23-49-47-22-11-12-25-55(47)70(64(49)50)60(54)39-59(53)69(58(48)37-46)62-28-15-16-33-66-62;/h5-39H,1-4H3;/i1D3;.

What are the key properties of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[(11-pyridin-2-yl-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2,4(12),5(10),6,8,13,16,18,20,22(26),23-dodecaen-8-yl)oxy]-4-(trideuteriomethyl)phenyl]benzimidazol-2-ylidene]platinum?

[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[(11-pyridin-2-yl-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2,4(12),5(10),6,8,13,16,18,20,22(26),23-dodecaen-8-yl)oxy]-4-(trideuteriomethyl)phenyl]benzimidazol-2-ylidene]platinum has a molecular weight of 1112.22 g/mol, XLogP of 16.87, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[(11-pyridin-2-yl-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2,4(12),5(10),6,8,13,16,18,20,22(26),23-dodecaen-8-yl)oxy]-4-(trideuteriomethyl)phenyl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 171595890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).