4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;bis(platinum(2+))

C108H112N8O2Pt2 — CID 162066573

IUPAC4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;bis(platinum(2+))
SMILESCc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(c(C(C)(C)C)c3)c3cc(C(C)(C)c5ccccc5)ccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)c3ccccc3)c2)n1.Cc1nn(-c2[c-]c(Oc3[c-]c4c(c(C(C)(C)C)c3)c3cc(C(C)(C)c5ccccc5)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c(C)c1C(C)(C)c1ccccc1.[Pt+2].[Pt+2]
InChIInChI=1S/2C54H56N4O.2Pt/c1-35-50(54(11,12)38-22-17-14-18-23-38)36(2)58(56-35)41-24-19-25-42(32-41)59-43-33-45(52(6,7)8)49-44-30-40(53(9,10)37-20-15-13-16-21-37)26-27-46(44)57(47(49)34-43)48-31-39(28-29-55-48)51(3,4)5;1-35-27-36(2)58(56-35)42-28-41(54(11,12)38-21-17-14-18-22-38)29-43(32-42)59-44-33-46(52(6,7)8)50-45-30-40(53(9,10)37-19-15-13-16-20-37)23-24-47(45)57(48(50)34-44)49-31-39(25-26-55-49)51(3,4)5;;/h2*13-31,33H,1-12H3;;/q2*-2;2*+2
InChIKeyWZEUVJUJCUFBRV-UHFFFAOYSA-N
MW1944.29 g/mol
LogP27.24
Rot. Bonds16

About 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;bis(platinum(2+))

4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;bis(platinum(2+)) (PubChem CID 162066573) has the molecular formula C108H112N8O2Pt2 and a molecular weight of 1944.29 g/mol. Its IUPAC name is 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;bis(platinum(2+)).

Molecular Properties

Compound Name4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;bis(platinum(2+))
PubChem CID162066573
Molecular FormulaC108H112N8O2Pt2
Molecular Weight1944.29 g/mol
Exact Mass1942.82
IUPAC Name4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;bis(platinum(2+))
SMILESCc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(c(C(C)(C)C)c3)c3cc(C(C)(C)c5ccccc5)ccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)c3ccccc3)c2)n1.Cc1nn(-c2[c-]c(Oc3[c-]c4c(c(C(C)(C)C)c3)c3cc(C(C)(C)c5ccccc5)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c(C)c1C(C)(C)c1ccccc1.[Pt+2].[Pt+2]
InChIInChI=1S/2C54H56N4O.2Pt/c1-35-50(54(11,12)38-22-17-14-18-23-38)36(2)58(56-35)41-24-19-25-42(32-41)59-43-33-45(52(6,7)8)49-44-30-40(53(9,10)37-20-15-13-16-21-37)26-27-46(44)57(47(49)34-43)48-31-39(28-29-55-48)51(3,4)5;1-35-27-36(2)58(56-35)42-28-41(54(11,12)38-21-17-14-18-22-38)29-43(32-42)59-44-33-46(52(6,7)8)50-45-30-40(53(9,10)37-19-15-13-16-20-37)23-24-47(45)57(48(50)34-44)49-31-39(25-26-55-49)51(3,4)5;;/h2*13-31,33H,1-12H3;;/q2*-2;2*+2
InChIKeyWZEUVJUJCUFBRV-UHFFFAOYSA-N
XLogP27.24
TPSA89.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms120
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001944.29
LogP ≤ 527.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;bis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;bis(platinum(2+))?
The IUPAC name of 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;bis(platinum(2+)) (CID 162066573) is 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;bis(platinum(2+)).
What is the SMILES notation for 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;bis(platinum(2+))?
The canonical SMILES for 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;bis(platinum(2+)) is Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(c(C(C)(C)C)c3)c3cc(C(C)(C)c5ccccc5)ccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)c3ccccc3)c2)n1.Cc1nn(-c2[c-]c(Oc3[c-]c4c(c(C(C)(C)C)c3)c3cc(C(C)(C)c5ccccc5)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c(C)c1C(C)(C)c1ccccc1.[Pt+2].[Pt+2].
What is the InChIKey of 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;bis(platinum(2+))?
The InChIKey is WZEUVJUJCUFBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H56N4O.2Pt/c1-35-50(54(11,12)38-22-17-14-18-23-38)36(2)58(56-35)41-24-19-25-42(32-41)59-43-33-45(52(6,7)8)49-44-30-40(53(9,10)37-20-15-13-16-21-37)26-27-46(44)57(47(49)34-43)48-31-39(28-29-55-48)51(3,4)5;1-35-27-36(2)58(56-35)42-28-41(54(11,12)38-21-17-14-18-22-38)29-43(32-42)59-44-33-46(52(6,7)8)50-45-30-40(53(9,10)37-19-15-13-16-20-37)23-24-47(45)57(48(50)34-44)49-31-39(25-26-55-49)51(3,4)5;;/h2*13-31,33H,1-12H3;;/q2*-2;2*+2.
What are the key properties of 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;bis(platinum(2+))?
4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;bis(platinum(2+)) has a molecular weight of 1944.29 g/mol, XLogP of 27.24, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;bis(platinum(2+)) is sourced from PubChem (CID 162066573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).