[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

C78H51N5OPt — CID 164804293

IUPAC[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
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(Oc4ccc5c6ccccc6n(-c6cc(-c7c(-c8ccccc8)cccc7-c7ccccc7)ccn6)c5c4)c3)c3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C78H51N5O.Pt/c1-5-23-53(24-6-1)62-36-22-37-63(54-25-7-2-8-26-54)77(62)57-45-46-79-76(47-57)83-72-40-18-15-35-66(72)67-44-43-61(51-75(67)83)84-60-32-21-31-58(48-60)80-52-81(74-42-20-19-41-73(74)80)78-68(55-27-9-3-10-28-55)49-59(50-69(78)56-29-11-4-12-30-56)82-70-38-16-13-33-64(70)65-34-14-17-39-71(65)82;/h1-51H;/i3D,4D,9D,10D,11D,12D,27D,28D,29D,30D;
InChIKeyXFCFJLWYOIVJEW-PFNCUWGWSA-N
MW1279.44 g/mol
LogP20.22
Rot. Bonds11

About [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

[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 (PubChem CID 164804293) has the molecular formula C78H51N5OPt and a molecular weight of 1279.44 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID164804293
Molecular FormulaC78H51N5OPt
Molecular Weight1279.44 g/mol
Exact Mass1278.44
IUPAC Name[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
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(Oc4ccc5c6ccccc6n(-c6cc(-c7c(-c8ccccc8)cccc7-c7ccccc7)ccn6)c5c4)c3)c3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C78H51N5O.Pt/c1-5-23-53(24-6-1)62-36-22-37-63(54-25-7-2-8-26-54)77(62)57-45-46-79-76(47-57)83-72-40-18-15-35-66(72)67-44-43-61(51-75(67)83)84-60-32-21-31-58(48-60)80-52-81(74-42-20-19-41-73(74)80)78-68(55-27-9-3-10-28-55)49-59(50-69(78)56-29-11-4-12-30-56)82-70-38-16-13-33-64(70)65-34-14-17-39-71(65)82;/h1-51H;/i3D,4D,9D,10D,11D,12D,27D,28D,29D,30D;
InChIKeyXFCFJLWYOIVJEW-PFNCUWGWSA-N
XLogP20.22
TPSA41.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001279.44
LogP ≤ 520.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [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 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-[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-(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-[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-(4-carbazol-9-yl-2,6-diphenylphenyl)-3-[3-[9-(4-methyl-5-pyridin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
CID 165167722
[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
[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-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
CID 165167654
9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 167401517
[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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 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(Oc4ccc5c6ccccc6n(-c6cc(-c7c(-c8ccccc8)cccc7-c7ccccc7)ccn6)c5c4)c3)c3ccccc32)c([2H])c1[2H].
What is the InChIKey of [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?
The InChIKey is XFCFJLWYOIVJEW-PFNCUWGWSA-N. The full InChI is InChI=1S/C78H51N5O.Pt/c1-5-23-53(24-6-1)62-36-22-37-63(54-25-7-2-8-26-54)77(62)57-45-46-79-76(47-57)83-72-40-18-15-35-66(72)67-44-43-61(51-75(67)83)84-60-32-21-31-58(48-60)80-52-81(74-42-20-19-41-73(74)80)78-68(55-27-9-3-10-28-55)49-59(50-69(78)56-29-11-4-12-30-56)82-70-38-16-13-33-64(70)65-34-14-17-39-71(65)82;/h1-51H;/i3D,4D,9D,10D,11D,12D,27D,28D,29D,30D;.
What are the key properties of [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?
[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 has a molecular weight of 1279.44 g/mol, XLogP of 20.22, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 164804293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).