9-(4-tert-butyl-2-pyridinyl)-2-[[3-tert-butyl-5-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[difluoro-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-ide;platinum

C122H94F4N8Pt2-6 — CID 163667202

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[[3-tert-butyl-5-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[difluoro-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-ide;platinum
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(N3[CH-]N(c4[c-]c(C(F)(F)c5[c-]c6c(cc5)c5c([2H])c([2H])c([2H])c([2H])c5n6-c5cc(C(C)(C)C)ccn5)cc(C(C)(C)C)c4)c4ccccc43)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(N3[CH-]N(c4[c-]c(C(F)(F)c5[c-]c6c(cc5)c5c([2H])c([2H])c([2H])c([2H])c5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H].[Pt].[Pt]
InChIInChI=1S/C63H51F2N4.C59H43F2N4.2Pt/c1-61(2,3)46-32-33-66-59(40-46)69-55-27-17-16-26-51(55)52-31-30-47(39-58(52)69)63(64,65)49-36-48(62(4,5)6)37-50(38-49)67-41-68(57-29-19-18-28-56(57)67)60-53(43-22-12-8-13-23-43)34-45(42-20-10-7-11-21-42)35-54(60)44-24-14-9-15-25-44;1-58(2,3)44-32-33-62-56(38-44)65-52-27-14-13-26-48(52)49-31-30-46(37-55(49)65)59(60,61)45-24-17-25-47(36-45)63-39-64(54-29-16-15-28-53(54)63)57-50(41-20-9-5-10-21-41)34-43(40-18-7-4-8-19-40)35-51(57)42-22-11-6-12-23-42;;/h7-37,40-41H,1-6H3;4-35,38-39H,1-3H3;;/q2*-3;;/i7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,20D,21D,22D,23D,24D,25D,26D,27D;4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,18D,19D,20D,21D,22D,23D,26D,27D;;
InChIKeyCNCWLHFRHQHKNY-JGGOUZHYSA-N
MW2176.53 g/mol
LogP32.55
Rot. Bonds16

About 9-(4-tert-butyl-2-pyridinyl)-2-[[3-tert-butyl-5-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[difluoro-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[[3-tert-butyl-5-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[difluoro-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-ide;platinum (PubChem CID 163667202) has the molecular formula C122H94F4N8Pt2-6 and a molecular weight of 2176.53 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[[3-tert-butyl-5-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[difluoro-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[[3-tert-butyl-5-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[difluoro-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-ide;platinum
PubChem CID163667202
Molecular FormulaC122H94F4N8Pt2-6
Molecular Weight2176.53 g/mol
Exact Mass2174.93
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[[3-tert-butyl-5-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[difluoro-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-ide;platinum
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(N3[CH-]N(c4[c-]c(C(F)(F)c5[c-]c6c(cc5)c5c([2H])c([2H])c([2H])c([2H])c5n6-c5cc(C(C)(C)C)ccn5)cc(C(C)(C)C)c4)c4ccccc43)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(N3[CH-]N(c4[c-]c(C(F)(F)c5[c-]c6c(cc5)c5c([2H])c([2H])c([2H])c([2H])c5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H].[Pt].[Pt]
InChIInChI=1S/C63H51F2N4.C59H43F2N4.2Pt/c1-61(2,3)46-32-33-66-59(40-46)69-55-27-17-16-26-51(55)52-31-30-47(39-58(52)69)63(64,65)49-36-48(62(4,5)6)37-50(38-49)67-41-68(57-29-19-18-28-56(57)67)60-53(43-22-12-8-13-23-43)34-45(42-20-10-7-11-21-42)35-54(60)44-24-14-9-15-25-44;1-58(2,3)44-32-33-62-56(38-44)65-52-27-14-13-26-48(52)49-31-30-46(37-55(49)65)59(60,61)45-24-17-25-47(36-45)63-39-64(54-29-16-15-28-53(54)63)57-50(41-20-9-5-10-21-41)34-43(40-18-7-4-8-19-40)35-51(57)42-22-11-6-12-23-42;;/h7-37,40-41H,1-6H3;4-35,38-39H,1-3H3;;/q2*-3;;/i7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,20D,21D,22D,23D,24D,25D,26D,27D;4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,18D,19D,20D,21D,22D,23D,26D,27D;;
InChIKeyCNCWLHFRHQHKNY-JGGOUZHYSA-N
XLogP32.55
TPSA48.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002176.53
LogP ≤ 532.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 9-(4-tert-butyl-2-pyridinyl)-2-[[3-tert-butyl-5-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[difluoro-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-ide;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[3-tert-butyl-5-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[difluoro-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-ide;platinum?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[3-tert-butyl-5-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[difluoro-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-ide;platinum (CID 163667202) is 9-(4-tert-butyl-2-pyridinyl)-2-[[3-tert-butyl-5-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[difluoro-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[[3-tert-butyl-5-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[difluoro-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-ide;platinum?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[[3-tert-butyl-5-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[difluoro-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(N3[CH-]N(c4[c-]c(C(F)(F)c5[c-]c6c(cc5)c5c([2H])c([2H])c([2H])c([2H])c5n6-c5cc(C(C)(C)C)ccn5)cc(C(C)(C)C)c4)c4ccccc43)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(N3[CH-]N(c4[c-]c(C(F)(F)c5[c-]c6c(cc5)c5c([2H])c([2H])c([2H])c([2H])c5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H].[Pt].[Pt].
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[[3-tert-butyl-5-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[difluoro-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-ide;platinum?
The InChIKey is CNCWLHFRHQHKNY-JGGOUZHYSA-N. The full InChI is InChI=1S/C63H51F2N4.C59H43F2N4.2Pt/c1-61(2,3)46-32-33-66-59(40-46)69-55-27-17-16-26-51(55)52-31-30-47(39-58(52)69)63(64,65)49-36-48(62(4,5)6)37-50(38-49)67-41-68(57-29-19-18-28-56(57)67)60-53(43-22-12-8-13-23-43)34-45(42-20-10-7-11-21-42)35-54(60)44-24-14-9-15-25-44;1-58(2,3)44-32-33-62-56(38-44)65-52-27-14-13-26-48(52)49-31-30-46(37-55(49)65)59(60,61)45-24-17-25-47(36-45)63-39-64(54-29-16-15-28-53(54)63)57-50(41-20-9-5-10-21-41)34-43(40-18-7-4-8-19-40)35-51(57)42-22-11-6-12-23-42;;/h7-37,40-41H,1-6H3;4-35,38-39H,1-3H3;;/q2*-3;;/i7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,20D,21D,22D,23D,24D,25D,26D,27D;4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,18D,19D,20D,21D,22D,23D,26D,27D;;.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[[3-tert-butyl-5-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[difluoro-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-ide;platinum?
9-(4-tert-butyl-2-pyridinyl)-2-[[3-tert-butyl-5-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[difluoro-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-ide;platinum has a molecular weight of 2176.53 g/mol, XLogP of 32.55, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[[3-tert-butyl-5-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]-difluoromethyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-5,6,7,8-tetradeuterio-2-[difluoro-[3-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 163667202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).