[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[9-(4-tert-butyltelluropheno[2,3-b]pyridin-6-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum

C58H46N4OPtTe-2 — CID 167378691

IUPAC[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[9-(4-tert-butyltelluropheno[2,3-b]pyridin-6-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
SMILESCC(C)(C)c1cc(-c2ccccc2)c(-n2c(=[Pt])n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)c5cc[te]c5n4)ccc3)c3ccccc32)c(-c2ccccc2)c1
InChIInChI=1S/C58H46N4OTe.Pt/c1-57(2,3)40-32-47(38-18-9-7-10-19-38)55(48(33-40)39-20-11-8-12-21-39)61-37-60(51-26-15-16-27-52(51)61)41-22-17-23-42(34-41)63-43-28-29-45-44-24-13-14-25-50(44)62(53(45)35-43)54-36-49(58(4,5)6)46-30-31-64-56(46)59-54;/h7-33,36H,1-6H3;/q-2;
InChIKeyVFPOZCVAIUFKCR-UHFFFAOYSA-N
MW1137.71 g/mol
LogP14.52
Rot. Bonds7

About [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[9-(4-tert-butyltelluropheno[2,3-b]pyridin-6-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum

[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[9-(4-tert-butyltelluropheno[2,3-b]pyridin-6-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum (PubChem CID 167378691) has the molecular formula C58H46N4OPtTe-2 and a molecular weight of 1137.71 g/mol. Its IUPAC name is [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[9-(4-tert-butyltelluropheno[2,3-b]pyridin-6-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[9-(4-tert-butyltelluropheno[2,3-b]pyridin-6-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
PubChem CID167378691
Molecular FormulaC58H46N4OPtTe-2
Molecular Weight1137.71 g/mol
Exact Mass1139.24
IUPAC Name[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[9-(4-tert-butyltelluropheno[2,3-b]pyridin-6-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
SMILESCC(C)(C)c1cc(-c2ccccc2)c(-n2c(=[Pt])n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)c5cc[te]c5n4)ccc3)c3ccccc32)c(-c2ccccc2)c1
InChIInChI=1S/C58H46N4OTe.Pt/c1-57(2,3)40-32-47(38-18-9-7-10-19-38)55(48(33-40)39-20-11-8-12-21-39)61-37-60(51-26-15-16-27-52(51)61)41-22-17-23-42(34-41)63-43-28-29-45-44-24-13-14-25-50(44)62(53(45)35-43)54-36-49(58(4,5)6)46-30-31-64-56(46)59-54;/h7-33,36H,1-6H3;/q-2;
InChIKeyVFPOZCVAIUFKCR-UHFFFAOYSA-N
XLogP14.52
TPSA36.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001137.71
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-[3-[[9-(4-tert-butyl-5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804317
CID 171595917
CID 171595917
7-tert-butyl-5-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]telluropheno[3,2-b]pyridine;platinum
CID 167378676
[1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
CID 165167879
[1-[3-[[9-[4-(dimethylamino)-5-pyrimidin-2-yl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 165167568
[1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-2-yl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804250
[1-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(6-oxo-1,3-diphenyl-7,8-dihydro-5H-naphthalen-2-yl)benzimidazol-2-ylidene]platinum
CID 171056703
[1-[3-[[9-[5-(1-benzothiophen-7-yl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 165167612
[1-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(1,3-diphenyl-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl)benzimidazol-2-ylidene]platinum
CID 171056859
[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[1-(4-tert-butyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
CID 169066476
CID 171595915
CID 171595915
[1-[3-[[9-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 165167894

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[9-(4-tert-butyltelluropheno[2,3-b]pyridin-6-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?
The IUPAC name of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[9-(4-tert-butyltelluropheno[2,3-b]pyridin-6-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum (CID 167378691) is [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[9-(4-tert-butyltelluropheno[2,3-b]pyridin-6-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[9-(4-tert-butyltelluropheno[2,3-b]pyridin-6-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[9-(4-tert-butyltelluropheno[2,3-b]pyridin-6-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum is CC(C)(C)c1cc(-c2ccccc2)c(-n2c(=[Pt])n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)c5cc[te]c5n4)ccc3)c3ccccc32)c(-c2ccccc2)c1.
What is the InChIKey of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[9-(4-tert-butyltelluropheno[2,3-b]pyridin-6-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?
The InChIKey is VFPOZCVAIUFKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N4OTe.Pt/c1-57(2,3)40-32-47(38-18-9-7-10-19-38)55(48(33-40)39-20-11-8-12-21-39)61-37-60(51-26-15-16-27-52(51)61)41-22-17-23-42(34-41)63-43-28-29-45-44-24-13-14-25-50(44)62(53(45)35-43)54-36-49(58(4,5)6)46-30-31-64-56(46)59-54;/h7-33,36H,1-6H3;/q-2;.
What are the key properties of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[9-(4-tert-butyltelluropheno[2,3-b]pyridin-6-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?
[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[9-(4-tert-butyltelluropheno[2,3-b]pyridin-6-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum has a molecular weight of 1137.71 g/mol, XLogP of 14.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[9-(4-tert-butyltelluropheno[2,3-b]pyridin-6-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 167378691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).