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

C65H79N4OPt-3 — CID 162448793

IUPAC6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)C1=C(C(C)(C)C)N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[CH-]N1c1[c-]c(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)c2ccccc2)c1.[Pt]
InChIInChI=1S/C65H79N4O.Pt/c1-59(2,3)43-26-29-54-53(37-43)52-28-27-50(40-55(52)69(54)56-38-44(30-31-66-56)60(4,5)6)70-51-36-47(65(19,20)42-24-22-21-23-25-42)35-49(39-51)68-41-67(57(63(13,14)15)58(68)64(16,17)18)48-33-45(61(7,8)9)32-46(34-48)62(10,11)12;/h21-38,41H,1-20H3;/q-3;
InChIKeyQVMCDOGYCZZDQT-UHFFFAOYSA-N
MW1127.45 g/mol
LogP17.83
Rot. Bonds7

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

6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 162448793) has the molecular formula C65H79N4OPt-3 and a molecular weight of 1127.45 g/mol. Its IUPAC name is 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
PubChem CID162448793
Molecular FormulaC65H79N4OPt-3
Molecular Weight1127.45 g/mol
Exact Mass1126.59
IUPAC Name6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)C1=C(C(C)(C)C)N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[CH-]N1c1[c-]c(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)c2ccccc2)c1.[Pt]
InChIInChI=1S/C65H79N4O.Pt/c1-59(2,3)43-26-29-54-53(37-43)52-28-27-50(40-55(52)69(54)56-38-44(30-31-66-56)60(4,5)6)70-51-36-47(65(19,20)42-24-22-21-23-25-42)35-49(39-51)68-41-67(57(63(13,14)15)58(68)64(16,17)18)48-33-45(61(7,8)9)32-46(34-48)62(10,11)12;/h21-38,41H,1-20H3;/q-3;
InChIKeyQVMCDOGYCZZDQT-UHFFFAOYSA-N
XLogP17.83
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms71
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001127.45
LogP ≤ 517.83
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 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The IUPAC name of 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 162448793) is 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The canonical SMILES for 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)C1=C(C(C)(C)C)N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[CH-]N1c1[c-]c(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)c2ccccc2)c1.[Pt].
What is the InChIKey of 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The InChIKey is QVMCDOGYCZZDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H79N4O.Pt/c1-59(2,3)43-26-29-54-53(37-43)52-28-27-50(40-55(52)69(54)56-38-44(30-31-66-56)60(4,5)6)70-51-36-47(65(19,20)42-24-22-21-23-25-42)35-49(39-51)68-41-67(57(63(13,14)15)58(68)64(16,17)18)48-33-45(61(7,8)9)32-46(34-48)62(10,11)12;/h21-38,41H,1-20H3;/q-3;.
What are the key properties of 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1127.45 g/mol, XLogP of 17.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162448793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).