6-tert-butyl-2-[3-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-2-pyridinyl]benzene-2-id-1-yl]oxy-9-(4,5-ditert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C52H57N3OPt — CID 162771157

IUPAC6-tert-butyl-2-[3-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-2-pyridinyl]benzene-2-id-1-yl]oxy-9-(4,5-ditert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
SMILESCc1cc(C(C)(C)C)ccc1-c1cc(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C(C)(C)C)ccc3n4-c3cc(C(C)(C)C)c(C(C)(C)C)cn3)ccc2)ncc1C.[Pt+2]
InChIInChI=1S/C52H57N3O.Pt/c1-32-24-35(49(3,4)5)18-21-39(32)41-28-45(53-30-33(41)2)34-16-15-17-37(25-34)56-38-20-22-40-42-26-36(50(6,7)8)19-23-46(42)55(47(40)27-38)48-29-43(51(9,10)11)44(31-54-48)52(12,13)14;/h15-24,26,28-31H,1-14H3;/q-2;+2
InChIKeyKIIWMXLJAVAZEP-UHFFFAOYSA-N
MW935.13 g/mol
LogP14.10
Rot. Bonds5

About 6-tert-butyl-2-[3-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-2-pyridinyl]benzene-2-id-1-yl]oxy-9-(4,5-ditert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

6-tert-butyl-2-[3-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-2-pyridinyl]benzene-2-id-1-yl]oxy-9-(4,5-ditert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 162771157) has the molecular formula C52H57N3OPt and a molecular weight of 935.13 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-2-pyridinyl]benzene-2-id-1-yl]oxy-9-(4,5-ditert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name6-tert-butyl-2-[3-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-2-pyridinyl]benzene-2-id-1-yl]oxy-9-(4,5-ditert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
PubChem CID162771157
Molecular FormulaC52H57N3OPt
Molecular Weight935.13 g/mol
Exact Mass934.41
IUPAC Name6-tert-butyl-2-[3-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-2-pyridinyl]benzene-2-id-1-yl]oxy-9-(4,5-ditert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
SMILESCc1cc(C(C)(C)C)ccc1-c1cc(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C(C)(C)C)ccc3n4-c3cc(C(C)(C)C)c(C(C)(C)C)cn3)ccc2)ncc1C.[Pt+2]
InChIInChI=1S/C52H57N3O.Pt/c1-32-24-35(49(3,4)5)18-21-39(32)41-28-45(53-30-33(41)2)34-16-15-17-37(25-34)56-38-20-22-40-42-26-36(50(6,7)8)19-23-46(42)55(47(40)27-38)48-29-43(51(9,10)11)44(31-54-48)52(12,13)14;/h15-24,26,28-31H,1-14H3;/q-2;+2
InChIKeyKIIWMXLJAVAZEP-UHFFFAOYSA-N
XLogP14.10
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.13
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-7-[3-[4-(2-methylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)
CID 170513440
platinum(2+);5-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 168810845
5-[3-[[9-(5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;platinum(2+)
CID 164838236
9-[2-[2-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(2-deuteriopropan-2-yl)carbazole;platinum(2+)
CID 171769390
6-tert-butyl-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 168780215
6-tert-butyl-2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 155636211
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-phenyl-7-(2-phenylpropan-2-yl)benzimidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 162449103
[1-[3-[[6-tert-butyl-9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5-trimethylimidazol-2-ylidene]platinum
CID 165167759
1,8-dimethyl-9-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+)
CID 171769510
5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2-methylthieno[2,3-c]pyridine;platinum(2+)
CID 155636207
[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
9-(4-tert-butyl-2-pyridinyl)-2-[[7-phenyl-4-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)
CID 170543596

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[3-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-2-pyridinyl]benzene-2-id-1-yl]oxy-9-(4,5-ditert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 6-tert-butyl-2-[3-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-2-pyridinyl]benzene-2-id-1-yl]oxy-9-(4,5-ditert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 162771157) is 6-tert-butyl-2-[3-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-2-pyridinyl]benzene-2-id-1-yl]oxy-9-(4,5-ditert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 6-tert-butyl-2-[3-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-2-pyridinyl]benzene-2-id-1-yl]oxy-9-(4,5-ditert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 6-tert-butyl-2-[3-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-2-pyridinyl]benzene-2-id-1-yl]oxy-9-(4,5-ditert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1cc(C(C)(C)C)ccc1-c1cc(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C(C)(C)C)ccc3n4-c3cc(C(C)(C)C)c(C(C)(C)C)cn3)ccc2)ncc1C.[Pt+2].
What is the InChIKey of 6-tert-butyl-2-[3-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-2-pyridinyl]benzene-2-id-1-yl]oxy-9-(4,5-ditert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is KIIWMXLJAVAZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H57N3O.Pt/c1-32-24-35(49(3,4)5)18-21-39(32)41-28-45(53-30-33(41)2)34-16-15-17-37(25-34)56-38-20-22-40-42-26-36(50(6,7)8)19-23-46(42)55(47(40)27-38)48-29-43(51(9,10)11)44(31-54-48)52(12,13)14;/h15-24,26,28-31H,1-14H3;/q-2;+2.
What are the key properties of 6-tert-butyl-2-[3-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-2-pyridinyl]benzene-2-id-1-yl]oxy-9-(4,5-ditert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?
6-tert-butyl-2-[3-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-2-pyridinyl]benzene-2-id-1-yl]oxy-9-(4,5-ditert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 935.13 g/mol, XLogP of 14.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[3-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-2-pyridinyl]benzene-2-id-1-yl]oxy-9-(4,5-ditert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 162771157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).