[1-[3-[3-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum

C68H55N5OPt — CID 164804239

IUPAC[1-[3-[3-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-n2c(=[Pt])n(-c3cccc(Oc4cc5c(cc4C(C)(C)C)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)c3)c3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C68H55N5O.Pt/c1-67(2,3)47-36-37-69-65(38-47)73-60-33-18-15-30-53(60)56-42-57(68(4,5)6)64(43-63(56)73)74-50-27-21-26-48(39-50)70-44-71(62-35-20-19-34-61(62)70)66-54(45-22-9-7-10-23-45)40-49(41-55(66)46-24-11-8-12-25-46)72-58-31-16-13-28-51(58)52-29-14-17-32-59(52)72;/h7-43H,1-6H3;/i7D,8D,9D,10D,11D,12D,22D,23D,24D,25D;
InChIKeyGBSUQKTZNLYJSK-BQCDUHSCSA-N
MW1163.36 g/mol
LogP17.81
Rot. Bonds8

About [1-[3-[3-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum

[1-[3-[3-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum (PubChem CID 164804239) has the molecular formula C68H55N5OPt and a molecular weight of 1163.36 g/mol. Its IUPAC name is [1-[3-[3-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-[3-[3-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
PubChem CID164804239
Molecular FormulaC68H55N5OPt
Molecular Weight1163.36 g/mol
Exact Mass1162.47
IUPAC Name[1-[3-[3-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-n2c(=[Pt])n(-c3cccc(Oc4cc5c(cc4C(C)(C)C)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)c3)c3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C68H55N5O.Pt/c1-67(2,3)47-36-37-69-65(38-47)73-60-33-18-15-30-53(60)56-42-57(68(4,5)6)64(43-63(56)73)74-50-27-21-26-48(39-50)70-44-71(62-35-20-19-34-61(62)70)66-54(45-22-9-7-10-23-45)40-49(41-55(66)46-24-11-8-12-25-46)72-58-31-16-13-28-51(58)52-29-14-17-32-59(52)72;/h7-43H,1-6H3;/i7D,8D,9D,10D,11D,12D,22D,23D,24D,25D;
InChIKeyGBSUQKTZNLYJSK-BQCDUHSCSA-N
XLogP17.81
TPSA41.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001163.36
LogP ≤ 517.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[3-[3-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum with MolForge

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Related Compounds

[1-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804295
[1-[3-[9-(4-tert-butyl-2-pyridinyl)-6,8-dimethylcarbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804195
[1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-methylphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804241
[1-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[3-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
CID 164804312
[1-[3-[9-(4-tert-butyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804371
[1-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[3-[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
CID 164804293
[1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-yl]-3-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
CID 171056672
[1-[5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-2,3,4-trideuteriobenzene-6-id-1-yl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804273
[1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-4-yl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804287
[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[4,12-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum
CID 168796864
[1-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]oxyphenyl]-3-[2,4-dioxo-6,8-bis(2,3,4,5,6-pentadeuteriophenyl)-3,3a,5,9b-tetrahydro-1H-cyclopenta[a]naphthalen-7-yl]benzimidazol-2-ylidene]platinum
CID 171056765
CID 164733892
CID 164733892

Frequently Asked Questions

What is the IUPAC name of [1-[3-[3-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum?
The IUPAC name of [1-[3-[3-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum (CID 164804239) is [1-[3-[3-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-[3-[3-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-[3-[3-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum is [2H]c1c([2H])c([2H])c(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-n2c(=[Pt])n(-c3cccc(Oc4cc5c(cc4C(C)(C)C)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)c3)c3ccccc32)c([2H])c1[2H].
What is the InChIKey of [1-[3-[3-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum?
The InChIKey is GBSUQKTZNLYJSK-BQCDUHSCSA-N. The full InChI is InChI=1S/C68H55N5O.Pt/c1-67(2,3)47-36-37-69-65(38-47)73-60-33-18-15-30-53(60)56-42-57(68(4,5)6)64(43-63(56)73)74-50-27-21-26-48(39-50)70-44-71(62-35-20-19-34-61(62)70)66-54(45-22-9-7-10-23-45)40-49(41-55(66)46-24-11-8-12-25-46)72-58-31-16-13-28-51(58)52-29-14-17-32-59(52)72;/h7-43H,1-6H3;/i7D,8D,9D,10D,11D,12D,22D,23D,24D,25D;.
What are the key properties of [1-[3-[3-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum?
[1-[3-[3-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum has a molecular weight of 1163.36 g/mol, XLogP of 17.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[3-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 164804239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).