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

C62H65N4OPt-3 — CID 162449467

IUPAC4-tert-butyl-2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)c1cc(Oc2[c-]c3c(c(C(C)(C)C)c2)c2ccccc2n3-c2cc(C(C)(C)c3ccccc3)ccn2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)C)c3)C=C2C(C)(C)c2ccccc2)c1.[Pt]
InChIInChI=1S/C62H65N4O.Pt/c1-58(2,3)44-27-22-28-47(33-44)64-40-55(62(12,13)43-25-18-15-19-26-43)65(41-64)48-34-46(59(4,5)6)35-49(37-48)67-50-38-52(60(7,8)9)57-51-29-20-21-30-53(51)66(54(57)39-50)56-36-45(31-32-63-56)61(10,11)42-23-16-14-17-24-42;/h14-36,38,40-41H,1-13H3;/q-3;
InChIKeyQSIDQFLSBSIGES-UHFFFAOYSA-N
MW1077.31 g/mol
LogP16.05
Rot. Bonds9

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

4-tert-butyl-2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162449467) has the molecular formula C62H65N4OPt-3 and a molecular weight of 1077.31 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name4-tert-butyl-2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
PubChem CID162449467
Molecular FormulaC62H65N4OPt-3
Molecular Weight1077.31 g/mol
Exact Mass1076.48
IUPAC Name4-tert-butyl-2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)c1cc(Oc2[c-]c3c(c(C(C)(C)C)c2)c2ccccc2n3-c2cc(C(C)(C)c3ccccc3)ccn2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)C)c3)C=C2C(C)(C)c2ccccc2)c1.[Pt]
InChIInChI=1S/C62H65N4O.Pt/c1-58(2,3)44-27-22-28-47(33-44)64-40-55(62(12,13)43-25-18-15-19-26-43)65(41-64)48-34-46(59(4,5)6)35-49(37-48)67-50-38-52(60(7,8)9)57-51-29-20-21-30-53(51)66(54(57)39-50)56-36-45(31-32-63-56)61(10,11)42-23-16-14-17-24-42;/h14-36,38,40-41H,1-13H3;/q-3;
InChIKeyQSIDQFLSBSIGES-UHFFFAOYSA-N
XLogP16.05
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms68
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001077.31
LogP ≤ 516.05
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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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The IUPAC name of 4-tert-butyl-2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162449467) is 4-tert-butyl-2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 4-tert-butyl-2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The canonical SMILES for 4-tert-butyl-2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(Oc2[c-]c3c(c(C(C)(C)C)c2)c2ccccc2n3-c2cc(C(C)(C)c3ccccc3)ccn2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)C)c3)C=C2C(C)(C)c2ccccc2)c1.[Pt].
What is the InChIKey of 4-tert-butyl-2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The InChIKey is QSIDQFLSBSIGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H65N4O.Pt/c1-58(2,3)44-27-22-28-47(33-44)64-40-55(62(12,13)43-25-18-15-19-26-43)65(41-64)48-34-46(59(4,5)6)35-49(37-48)67-50-38-52(60(7,8)9)57-51-29-20-21-30-53(51)66(54(57)39-50)56-36-45(31-32-63-56)61(10,11)42-23-16-14-17-24-42;/h14-36,38,40-41H,1-13H3;/q-3;.
What are the key properties of 4-tert-butyl-2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
4-tert-butyl-2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1077.31 g/mol, XLogP of 16.05, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162449467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).