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

C50H36N4OPt — CID 176871163

IUPAC[1-[3-[9-[3,6-dideuterio-4,5-bis(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
SMILES[2H]c1cc([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-n2c(=[Pt])n(-c3cccc(Oc4ccc5c6ccccc6n(-c6nc([2H])c(C([2H])([2H])[2H])c(C([2H])([2H])[2H])c6[2H])c5c4)c3)c3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C50H36N4O.Pt/c1-34-29-49(51-32-35(34)2)54-45-24-10-9-21-43(45)44-28-27-40(31-48(44)54)55-39-20-13-19-38(30-39)52-33-53(47-26-12-11-25-46(47)52)50-41(36-15-5-3-6-16-36)22-14-23-42(50)37-17-7-4-8-18-37;/h3-32H,1-2H3;/i1D3,2D3,3D,4D,5D,6D,7D,15D,16D,17D,18D,29D,32D;
InChIKeyUDPIBMXHGYDCIX-SXSZEDJGSA-N
MW921.05 g/mol
LogP12.74
Rot. Bonds9

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

[1-[3-[9-[3,6-dideuterio-4,5-bis(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum (PubChem CID 176871163) has the molecular formula C50H36N4OPt and a molecular weight of 921.05 g/mol. Its IUPAC name is [1-[3-[9-[3,6-dideuterio-4,5-bis(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-[3-[9-[3,6-dideuterio-4,5-bis(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
PubChem CID176871163
Molecular FormulaC50H36N4OPt
Molecular Weight921.05 g/mol
Exact Mass920.36
IUPAC Name[1-[3-[9-[3,6-dideuterio-4,5-bis(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
SMILES[2H]c1cc([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-n2c(=[Pt])n(-c3cccc(Oc4ccc5c6ccccc6n(-c6nc([2H])c(C([2H])([2H])[2H])c(C([2H])([2H])[2H])c6[2H])c5c4)c3)c3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C50H36N4O.Pt/c1-34-29-49(51-32-35(34)2)54-45-24-10-9-21-43(45)44-28-27-40(31-48(44)54)55-39-20-13-19-38(30-39)52-33-53(47-26-12-11-25-46(47)52)50-41(36-15-5-3-6-16-36)22-14-23-42(50)37-17-7-4-8-18-37;/h3-32H,1-2H3;/i1D3,2D3,3D,4D,5D,6D,7D,15D,16D,17D,18D,29D,32D;
InChIKeyUDPIBMXHGYDCIX-SXSZEDJGSA-N
XLogP12.74
TPSA36.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.05
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[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-[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-[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-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-[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-[5-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 165167740
[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
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-[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-[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
[1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
CID 165167654
[1-[3-[9-(4-tert-butyl-5-pyrimidin-5-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 165167796

Frequently Asked Questions

What is the IUPAC name of [1-[3-[9-[3,6-dideuterio-4,5-bis(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum?
The IUPAC name of [1-[3-[9-[3,6-dideuterio-4,5-bis(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum (CID 176871163) is [1-[3-[9-[3,6-dideuterio-4,5-bis(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-[3-[9-[3,6-dideuterio-4,5-bis(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-[3-[9-[3,6-dideuterio-4,5-bis(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum is [2H]c1cc([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-n2c(=[Pt])n(-c3cccc(Oc4ccc5c6ccccc6n(-c6nc([2H])c(C([2H])([2H])[2H])c(C([2H])([2H])[2H])c6[2H])c5c4)c3)c3ccccc32)c([2H])c1[2H].
What is the InChIKey of [1-[3-[9-[3,6-dideuterio-4,5-bis(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum?
The InChIKey is UDPIBMXHGYDCIX-SXSZEDJGSA-N. The full InChI is InChI=1S/C50H36N4O.Pt/c1-34-29-49(51-32-35(34)2)54-45-24-10-9-21-43(45)44-28-27-40(31-48(44)54)55-39-20-13-19-38(30-39)52-33-53(47-26-12-11-25-46(47)52)50-41(36-15-5-3-6-16-36)22-14-23-42(50)37-17-7-4-8-18-37;/h3-32H,1-2H3;/i1D3,2D3,3D,4D,5D,6D,7D,15D,16D,17D,18D,29D,32D;.
What are the key properties of [1-[3-[9-[3,6-dideuterio-4,5-bis(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum?
[1-[3-[9-[3,6-dideuterio-4,5-bis(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum has a molecular weight of 921.05 g/mol, XLogP of 12.74, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[9-[3,6-dideuterio-4,5-bis(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 176871163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).