7-tert-butyl-2-[3-tert-butyl-5-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum

C57H73N4OPt-3 — CID 168748109

IUPAC7-tert-butyl-2-[3-tert-butyl-5-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum
SMILESCC(C)(C)C1=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccc(C(C)(C)C)cc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)CN1c1cc(C(C)(C)C)cc(C(C)(C)C)c1.[CH3-].[Pt]
InChIInChI=1S/C56H70N4O.CH3.Pt/c1-51(2,3)36-19-21-45-46-22-20-43(33-48(46)60(47(45)30-36)50-31-37(23-24-57-50)52(4,5)6)61-44-29-40(55(13,14)15)26-41(32-44)58-34-49(56(16,17)18)59(35-58)42-27-38(53(7,8)9)25-39(28-42)54(10,11)12;;/h19-31,34H,35H2,1-18H3;1H3;/q-2;-1;
InChIKeyQVZFRBQSAYIYHB-UHFFFAOYSA-N
MW1025.32 g/mol
LogP15.68
Rot. Bonds5

About 7-tert-butyl-2-[3-tert-butyl-5-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum

7-tert-butyl-2-[3-tert-butyl-5-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum (PubChem CID 168748109) has the molecular formula C57H73N4OPt-3 and a molecular weight of 1025.32 g/mol. Its IUPAC name is 7-tert-butyl-2-[3-tert-butyl-5-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum.

Molecular Properties

Compound Name7-tert-butyl-2-[3-tert-butyl-5-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum
PubChem CID168748109
Molecular FormulaC57H73N4OPt-3
Molecular Weight1025.32 g/mol
Exact Mass1024.54
IUPAC Name7-tert-butyl-2-[3-tert-butyl-5-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum
SMILESCC(C)(C)C1=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccc(C(C)(C)C)cc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)CN1c1cc(C(C)(C)C)cc(C(C)(C)C)c1.[CH3-].[Pt]
InChIInChI=1S/C56H70N4O.CH3.Pt/c1-51(2,3)36-19-21-45-46-22-20-43(33-48(46)60(47(45)30-36)50-31-37(23-24-57-50)52(4,5)6)61-44-29-40(55(13,14)15)26-41(32-44)58-34-49(56(16,17)18)59(35-58)42-27-38(53(7,8)9)25-39(28-42)54(10,11)12;;/h19-31,34H,35H2,1-18H3;1H3;/q-2;-1;
InChIKeyQVZFRBQSAYIYHB-UHFFFAOYSA-N
XLogP15.68
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms63
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.32
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-[3-tert-butyl-5-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum?
The IUPAC name of 7-tert-butyl-2-[3-tert-butyl-5-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum (CID 168748109) is 7-tert-butyl-2-[3-tert-butyl-5-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum.
What is the SMILES notation for 7-tert-butyl-2-[3-tert-butyl-5-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum?
The canonical SMILES for 7-tert-butyl-2-[3-tert-butyl-5-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum is CC(C)(C)C1=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccc(C(C)(C)C)cc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)CN1c1cc(C(C)(C)C)cc(C(C)(C)C)c1.[CH3-].[Pt].
What is the InChIKey of 7-tert-butyl-2-[3-tert-butyl-5-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum?
The InChIKey is QVZFRBQSAYIYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H70N4O.CH3.Pt/c1-51(2,3)36-19-21-45-46-22-20-43(33-48(46)60(47(45)30-36)50-31-37(23-24-57-50)52(4,5)6)61-44-29-40(55(13,14)15)26-41(32-44)58-34-49(56(16,17)18)59(35-58)42-27-38(53(7,8)9)25-39(28-42)54(10,11)12;;/h19-31,34H,35H2,1-18H3;1H3;/q-2;-1;.
What are the key properties of 7-tert-butyl-2-[3-tert-butyl-5-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum?
7-tert-butyl-2-[3-tert-butyl-5-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum has a molecular weight of 1025.32 g/mol, XLogP of 15.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-[3-tert-butyl-5-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum is sourced from PubChem (CID 168748109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).