[1-[3-[[11-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-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]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum

C55H43N5OPt — CID 171596107

IUPAC[1-[3-[[11-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-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]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum
SMILES[2H]C([2H])([2H])c1ccc(-n2c(=[Pt])n(C([2H])([2H])[2H])c3ccccc32)cc1Oc1ccc2c3cc4c5cccc6c7ccccc7n(c4cc3n(-c3cc(C([2H])([2H])[2H])c(-c4ccc(C(C)(C)C)cc4)cn3)c2c1)c65
InChIInChI=1S/C55H43N5O.Pt/c1-33-18-23-37(58-32-57(6)47-16-9-10-17-48(47)58)27-52(33)61-38-24-25-40-43-29-44-42-14-11-13-41-39-12-7-8-15-46(39)60(54(41)42)51(44)30-50(43)59(49(40)28-38)53-26-34(2)45(31-56-53)35-19-21-36(22-20-35)55(3,4)5;/h7-31H,1-6H3;/i1D3,2D3,6D3;
InChIKeyFNJZJTOFFQVILS-FKTRFDRJSA-N
MW994.12 g/mol
LogP14.06
Rot. Bonds8

About [1-[3-[[11-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-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]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum

[1-[3-[[11-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-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]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum (PubChem CID 171596107) has the molecular formula C55H43N5OPt and a molecular weight of 994.12 g/mol. Its IUPAC name is [1-[3-[[11-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-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]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-[3-[[11-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-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]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum
PubChem CID171596107
Molecular FormulaC55H43N5OPt
Molecular Weight994.12 g/mol
Exact Mass993.37
IUPAC Name[1-[3-[[11-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-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]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum
SMILES[2H]C([2H])([2H])c1ccc(-n2c(=[Pt])n(C([2H])([2H])[2H])c3ccccc32)cc1Oc1ccc2c3cc4c5cccc6c7ccccc7n(c4cc3n(-c3cc(C([2H])([2H])[2H])c(-c4ccc(C(C)(C)C)cc4)cn3)c2c1)c65
InChIInChI=1S/C55H43N5O.Pt/c1-33-18-23-37(58-32-57(6)47-16-9-10-17-48(47)58)27-52(33)61-38-24-25-40-43-29-44-42-14-11-13-41-39-12-7-8-15-46(39)60(54(41)42)51(44)30-50(43)59(49(40)28-38)53-26-34(2)45(31-56-53)35-19-21-36(22-20-35)55(3,4)5;/h7-31H,1-6H3;/i1D3,2D3,6D3;
InChIKeyFNJZJTOFFQVILS-FKTRFDRJSA-N
XLogP14.06
TPSA41.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500994.12
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[3-[[11-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-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]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum with MolForge

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Related Compounds

CID 171596106
CID 171596106
[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
[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
22-[3-[9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]oxy-4-(trideuteriomethyl)phenyl]-11,18-dimethyl-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8(13),9,11,14,16,18,23,25-dodecaene
CID 177105328
9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 168780284
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 168780590
[1-[3-[5-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl]oxyphenyl]-3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]benzimidazol-2-ylidene]platinum
CID 177099176
11,18-dimethyl-22-[3-[6-(2,3,4,5,6-pentadeuteriophenyl)-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]oxy-4-(trideuteriomethyl)phenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8(13),9,11,14,16,18,23,25-dodecaene
CID 177105381
2-[3-[3-[4-tert-butyl-2-(2-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 177082811
2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(4-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 177083037
6-tert-butyl-2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 168780381
[1-[3-[5-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]spiro[4H-indeno[2,1-b]carbazol-4-ide-7,9'-thioxanthene]-3-yl]oxybenzene-2-id-1-yl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum
CID 177099223

Frequently Asked Questions

What is the IUPAC name of [1-[3-[[11-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-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]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum?
The IUPAC name of [1-[3-[[11-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-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]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum (CID 171596107) is [1-[3-[[11-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-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]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-[3-[[11-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-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]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-[3-[[11-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-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]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum is [2H]C([2H])([2H])c1ccc(-n2c(=[Pt])n(C([2H])([2H])[2H])c3ccccc32)cc1Oc1ccc2c3cc4c5cccc6c7ccccc7n(c4cc3n(-c3cc(C([2H])([2H])[2H])c(-c4ccc(C(C)(C)C)cc4)cn3)c2c1)c65.
What is the InChIKey of [1-[3-[[11-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-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]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum?
The InChIKey is FNJZJTOFFQVILS-FKTRFDRJSA-N. The full InChI is InChI=1S/C55H43N5O.Pt/c1-33-18-23-37(58-32-57(6)47-16-9-10-17-48(47)58)27-52(33)61-38-24-25-40-43-29-44-42-14-11-13-41-39-12-7-8-15-46(39)60(54(41)42)51(44)30-50(43)59(49(40)28-38)53-26-34(2)45(31-56-53)35-19-21-36(22-20-35)55(3,4)5;/h7-31H,1-6H3;/i1D3,2D3,6D3;.
What are the key properties of [1-[3-[[11-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-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]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum?
[1-[3-[[11-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-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]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum has a molecular weight of 994.12 g/mol, XLogP of 14.06, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[[11-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-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]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 171596107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).