[22-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5,6,9,10,12-heptadeuterio-18-(3,5-ditert-butylphenyl)-25-(2,3,4,5,6-pentadeuteriophenyl)-22-aza-20-azoniahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8(13),9,11,14,16,18,20,23,25-tridecaen-11-yl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum

C90H75N4OPtSi- — CID 168782452

IUPAC[22-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5,6,9,10,12-heptadeuterio-18-(3,5-ditert-butylphenyl)-25-(2,3,4,5,6-pentadeuteriophenyl)-22-aza-20-azoniahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8(13),9,11,14,16,18,20,23,25-tridecaen-11-yl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
SMILES[2H]c1c([2H])c([2H])c(-c2cc3c4c(c2)n(-c2[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc2)c[n+]4-c2c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cccc2-c2c([2H])c([Si](c4c([2H])c([2H])c([2H])c([2H])c4[2H])(c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c([2H])c2-3)c([2H])c1[2H].[Pt]
InChIInChI=1S/C90H75N4OSi.Pt/c1-88(2,3)63-48-49-91-85(55-63)94-82-43-25-24-40-77(82)78-46-44-68(57-83(78)94)95-67-31-26-30-66(56-67)92-59-93-86-73(62-50-64(89(4,5)6)54-65(51-62)90(7,8)9)41-27-42-79(86)80-58-72(96(69-32-16-11-17-33-69,70-34-18-12-19-35-70)71-36-20-13-21-37-71)45-47-76(80)74-38-22-23-39-75(74)81-52-61(53-84(92)87(81)93)60-28-14-10-15-29-60;/h10-55,58-59H,1-9H3;/q-1;/i10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,28D,29D,32D,33D,34D,35D,36D,37D,38D,39D,45D,47D,58D;
InChIKeyYYVSAHBARJTRAA-GGUDTPCDSA-N
MW1478.95 g/mol
LogP19.71
Rot. Bonds10

About [22-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5,6,9,10,12-heptadeuterio-18-(3,5-ditert-butylphenyl)-25-(2,3,4,5,6-pentadeuteriophenyl)-22-aza-20-azoniahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8(13),9,11,14,16,18,20,23,25-tridecaen-11-yl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum

[22-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5,6,9,10,12-heptadeuterio-18-(3,5-ditert-butylphenyl)-25-(2,3,4,5,6-pentadeuteriophenyl)-22-aza-20-azoniahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8(13),9,11,14,16,18,20,23,25-tridecaen-11-yl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (PubChem CID 168782452) has the molecular formula C90H75N4OPtSi- and a molecular weight of 1478.95 g/mol. Its IUPAC name is [22-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5,6,9,10,12-heptadeuterio-18-(3,5-ditert-butylphenyl)-25-(2,3,4,5,6-pentadeuteriophenyl)-22-aza-20-azoniahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8(13),9,11,14,16,18,20,23,25-tridecaen-11-yl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

Molecular Properties

Compound Name[22-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5,6,9,10,12-heptadeuterio-18-(3,5-ditert-butylphenyl)-25-(2,3,4,5,6-pentadeuteriophenyl)-22-aza-20-azoniahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8(13),9,11,14,16,18,20,23,25-tridecaen-11-yl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
PubChem CID168782452
Molecular FormulaC90H75N4OPtSi-
Molecular Weight1478.95 g/mol
Exact Mass1477.71
IUPAC Name[22-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5,6,9,10,12-heptadeuterio-18-(3,5-ditert-butylphenyl)-25-(2,3,4,5,6-pentadeuteriophenyl)-22-aza-20-azoniahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8(13),9,11,14,16,18,20,23,25-tridecaen-11-yl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
SMILES[2H]c1c([2H])c([2H])c(-c2cc3c4c(c2)n(-c2[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc2)c[n+]4-c2c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cccc2-c2c([2H])c([Si](c4c([2H])c([2H])c([2H])c([2H])c4[2H])(c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c([2H])c2-3)c([2H])c1[2H].[Pt]
InChIInChI=1S/C90H75N4OSi.Pt/c1-88(2,3)63-48-49-91-85(55-63)94-82-43-25-24-40-77(82)78-46-44-68(57-83(78)94)95-67-31-26-30-66(56-67)92-59-93-86-73(62-50-64(89(4,5)6)54-65(51-62)90(7,8)9)41-27-42-79(86)80-58-72(96(69-32-16-11-17-33-69,70-34-18-12-19-35-70)71-36-20-13-21-37-71)45-47-76(80)74-38-22-23-39-75(74)81-52-61(53-84(92)87(81)93)60-28-14-10-15-29-60;/h10-55,58-59H,1-9H3;/q-1;/i10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,28D,29D,32D,33D,34D,35D,36D,37D,38D,39D,45D,47D,58D;
InChIKeyYYVSAHBARJTRAA-GGUDTPCDSA-N
XLogP19.71
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001478.95
LogP ≤ 519.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [22-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5,6,9,10,12-heptadeuterio-18-(3,5-ditert-butylphenyl)-25-(2,3,4,5,6-pentadeuteriophenyl)-22-aza-20-azoniahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8(13),9,11,14,16,18,20,23,25-tridecaen-11-yl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum with MolForge

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Related Compounds

CID 171046897
CID 171046897
[3-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-1-[2-(3,5-ditert-butylphenyl)-6-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]-2H-benzimidazol-1-ium-2-id-5-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
CID 171426691
CID 171047289
CID 171047289
[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
CID 171426660
[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
CID 171426749
CID 171048255
CID 171048255
CID 171047489
CID 171047489
[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
CID 171427955
CID 168782383
CID 168782383
[5-tert-butyl-3-(3-tert-butylphenyl)-2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
CID 171428513
CID 171047143
CID 171047143
[3-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
CID 169019276

Frequently Asked Questions

What is the IUPAC name of [22-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5,6,9,10,12-heptadeuterio-18-(3,5-ditert-butylphenyl)-25-(2,3,4,5,6-pentadeuteriophenyl)-22-aza-20-azoniahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8(13),9,11,14,16,18,20,23,25-tridecaen-11-yl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?
The IUPAC name of [22-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5,6,9,10,12-heptadeuterio-18-(3,5-ditert-butylphenyl)-25-(2,3,4,5,6-pentadeuteriophenyl)-22-aza-20-azoniahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8(13),9,11,14,16,18,20,23,25-tridecaen-11-yl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (CID 168782452) is [22-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5,6,9,10,12-heptadeuterio-18-(3,5-ditert-butylphenyl)-25-(2,3,4,5,6-pentadeuteriophenyl)-22-aza-20-azoniahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8(13),9,11,14,16,18,20,23,25-tridecaen-11-yl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.
What is the SMILES notation for [22-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5,6,9,10,12-heptadeuterio-18-(3,5-ditert-butylphenyl)-25-(2,3,4,5,6-pentadeuteriophenyl)-22-aza-20-azoniahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8(13),9,11,14,16,18,20,23,25-tridecaen-11-yl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?
The canonical SMILES for [22-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5,6,9,10,12-heptadeuterio-18-(3,5-ditert-butylphenyl)-25-(2,3,4,5,6-pentadeuteriophenyl)-22-aza-20-azoniahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8(13),9,11,14,16,18,20,23,25-tridecaen-11-yl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is [2H]c1c([2H])c([2H])c(-c2cc3c4c(c2)n(-c2[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc2)c[n+]4-c2c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cccc2-c2c([2H])c([Si](c4c([2H])c([2H])c([2H])c([2H])c4[2H])(c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c([2H])c2-3)c([2H])c1[2H].[Pt].
What is the InChIKey of [22-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5,6,9,10,12-heptadeuterio-18-(3,5-ditert-butylphenyl)-25-(2,3,4,5,6-pentadeuteriophenyl)-22-aza-20-azoniahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8(13),9,11,14,16,18,20,23,25-tridecaen-11-yl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?
The InChIKey is YYVSAHBARJTRAA-GGUDTPCDSA-N. The full InChI is InChI=1S/C90H75N4OSi.Pt/c1-88(2,3)63-48-49-91-85(55-63)94-82-43-25-24-40-77(82)78-46-44-68(57-83(78)94)95-67-31-26-30-66(56-67)92-59-93-86-73(62-50-64(89(4,5)6)54-65(51-62)90(7,8)9)41-27-42-79(86)80-58-72(96(69-32-16-11-17-33-69,70-34-18-12-19-35-70)71-36-20-13-21-37-71)45-47-76(80)74-38-22-23-39-75(74)81-52-61(53-84(92)87(81)93)60-28-14-10-15-29-60;/h10-55,58-59H,1-9H3;/q-1;/i10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,28D,29D,32D,33D,34D,35D,36D,37D,38D,39D,45D,47D,58D;.
What are the key properties of [22-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5,6,9,10,12-heptadeuterio-18-(3,5-ditert-butylphenyl)-25-(2,3,4,5,6-pentadeuteriophenyl)-22-aza-20-azoniahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8(13),9,11,14,16,18,20,23,25-tridecaen-11-yl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?
[22-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5,6,9,10,12-heptadeuterio-18-(3,5-ditert-butylphenyl)-25-(2,3,4,5,6-pentadeuteriophenyl)-22-aza-20-azoniahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8(13),9,11,14,16,18,20,23,25-tridecaen-11-yl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum has a molecular weight of 1478.95 g/mol, XLogP of 19.71, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [22-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5,6,9,10,12-heptadeuterio-18-(3,5-ditert-butylphenyl)-25-(2,3,4,5,6-pentadeuteriophenyl)-22-aza-20-azoniahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8(13),9,11,14,16,18,20,23,25-tridecaen-11-yl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is sourced from PubChem (CID 168782452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).