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

C70H65N4OPt-3 — CID 162448316

IUPAC6-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(N2C=C(c3ccccc3)N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C(C)(C)C)ccc4n5-c4cc(C(C)(C)c5ccccc5)ccn4)cc(C(C)(C)c4ccccc4)c3)[CH-]2)c1.[Pt]
InChIInChI=1S/C70H65N4O.Pt/c1-67(2,3)53-31-34-63-62(42-53)61-33-32-59(45-64(61)74(63)66-43-54(35-36-71-66)69(7,8)51-27-19-13-20-28-51)75-60-41-56(70(9,10)52-29-21-14-22-30-52)40-58(44-60)73-47-72(46-65(73)49-25-17-12-18-26-49)57-38-50(48-23-15-11-16-24-48)37-55(39-57)68(4,5)6;/h11-43,46-47H,1-10H3;/q-3;
InChIKeyWENUHFMRUXPKMD-UHFFFAOYSA-N
MW1173.39 g/mol
LogP17.93
Rot. Bonds11

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

6-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162448316) has the molecular formula C70H65N4OPt-3 and a molecular weight of 1173.39 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name6-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
PubChem CID162448316
Molecular FormulaC70H65N4OPt-3
Molecular Weight1173.39 g/mol
Exact Mass1172.48
IUPAC Name6-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(N2C=C(c3ccccc3)N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C(C)(C)C)ccc4n5-c4cc(C(C)(C)c5ccccc5)ccn4)cc(C(C)(C)c4ccccc4)c3)[CH-]2)c1.[Pt]
InChIInChI=1S/C70H65N4O.Pt/c1-67(2,3)53-31-34-63-62(42-53)61-33-32-59(45-64(61)74(63)66-43-54(35-36-71-66)69(7,8)51-27-19-13-20-28-51)75-60-41-56(70(9,10)52-29-21-14-22-30-52)40-58(44-60)73-47-72(46-65(73)49-25-17-12-18-26-49)57-38-50(48-23-15-11-16-24-48)37-55(39-57)68(4,5)6;/h11-43,46-47H,1-10H3;/q-3;
InChIKeyWENUHFMRUXPKMD-UHFFFAOYSA-N
XLogP17.93
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms76
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001173.39
LogP ≤ 517.93
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-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The IUPAC name of 6-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162448316) is 6-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 6-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The canonical SMILES for 6-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(-c2ccccc2)cc(N2C=C(c3ccccc3)N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C(C)(C)C)ccc4n5-c4cc(C(C)(C)c5ccccc5)ccn4)cc(C(C)(C)c4ccccc4)c3)[CH-]2)c1.[Pt].
What is the InChIKey of 6-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
The InChIKey is WENUHFMRUXPKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H65N4O.Pt/c1-67(2,3)53-31-34-63-62(42-53)61-33-32-59(45-64(61)74(63)66-43-54(35-36-71-66)69(7,8)51-27-19-13-20-28-51)75-60-41-56(70(9,10)52-29-21-14-22-30-52)40-58(44-60)73-47-72(46-65(73)49-25-17-12-18-26-49)57-38-50(48-23-15-11-16-24-48)37-55(39-57)68(4,5)6;/h11-43,46-47H,1-10H3;/q-3;.
What are the key properties of 6-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?
6-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1173.39 g/mol, XLogP of 17.93, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162448316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).