2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C59H59N4OPt-3 — CID 162447645

IUPAC2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cc(-c4ccccc4)cc(C(C)(C)C)c3)C=C2C(C)(C)c2ccccc2)c1.[Pt]
InChIInChI=1S/C59H59N4O.Pt/c1-56(2,3)43-28-29-60-55(35-43)63-52-25-19-18-24-50(52)51-27-26-48(37-53(51)63)64-49-34-45(58(7,8)9)33-47(36-49)62-39-61(38-54(62)59(10,11)42-22-16-13-17-23-42)46-31-41(40-20-14-12-15-21-40)30-44(32-46)57(4,5)6;/h12-35,38-39H,1-11H3;/q-3;
InChIKeyPVCAMGBXSFYSKY-UHFFFAOYSA-N
MW1035.23 g/mol
LogP15.39
Rot. Bonds8

About 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 162447645) has the molecular formula C59H59N4OPt-3 and a molecular weight of 1035.23 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
PubChem CID162447645
Molecular FormulaC59H59N4OPt-3
Molecular Weight1035.23 g/mol
Exact Mass1034.44
IUPAC Name2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cc(-c4ccccc4)cc(C(C)(C)C)c3)C=C2C(C)(C)c2ccccc2)c1.[Pt]
InChIInChI=1S/C59H59N4O.Pt/c1-56(2,3)43-28-29-60-55(35-43)63-52-25-19-18-24-50(52)51-27-26-48(37-53(51)63)64-49-34-45(58(7,8)9)33-47(36-49)62-39-61(38-54(62)59(10,11)42-22-16-13-17-23-42)46-31-41(40-20-14-12-15-21-40)30-44(32-46)57(4,5)6;/h12-35,38-39H,1-11H3;/q-3;
InChIKeyPVCAMGBXSFYSKY-UHFFFAOYSA-N
XLogP15.39
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms65
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.23
LogP ≤ 515.39
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 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
The IUPAC name of 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 162447645) is 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
The canonical SMILES for 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cc(-c4ccccc4)cc(C(C)(C)C)c3)C=C2C(C)(C)c2ccccc2)c1.[Pt].
What is the InChIKey of 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
The InChIKey is PVCAMGBXSFYSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H59N4O.Pt/c1-56(2,3)43-28-29-60-55(35-43)63-52-25-19-18-24-50(52)51-27-26-48(37-53(51)63)64-49-34-45(58(7,8)9)33-47(36-49)62-39-61(38-54(62)59(10,11)42-22-16-13-17-23-42)46-31-41(40-20-14-12-15-21-40)30-44(32-46)57(4,5)6;/h12-35,38-39H,1-11H3;/q-3;.
What are the key properties of 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1035.23 g/mol, XLogP of 15.39, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162447645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).