2-[3-[4-(2,6-ditert-butyl-3,4-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))

C172H168N16O4Pt4 — CID 158505297

IUPAC2-[3-[4-(2,6-ditert-butyl-3,4-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))
SMILESCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(C)(C)C)c(C)c(C)c(C)c6C(C)(C)C)cn5)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(C)(C)C)c(C)cc(C)c6C(C)(C)C)cn5)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(C)(C)C)cc(C)c(C)c6C(C)(C)C)cn5)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(C)(C)C)cc(C)cc6C(C)(C)C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C44H44N4O.2C43H42N4O.C42H40N4O.4Pt/c1-27-20-21-45-39(22-27)48-37-17-12-11-16-35(37)36-19-18-34(24-38(36)48)49-33-15-13-14-32(23-33)47-26-31(25-46-47)40-41(43(5,6)7)29(3)28(2)30(4)42(40)44(8,9)10;1-27-19-20-44-39(21-27)47-37-16-11-10-15-34(37)35-18-17-33(24-38(35)47)48-32-14-12-13-31(23-32)46-26-30(25-45-46)40-36(42(4,5)6)22-28(2)29(3)41(40)43(7,8)9;1-27-19-20-44-38(21-27)47-36-16-11-10-15-34(36)35-18-17-33(24-37(35)47)48-32-14-12-13-31(23-32)46-26-30(25-45-46)39-40(42(4,5)6)28(2)22-29(3)41(39)43(7,8)9;1-27-18-19-43-39(22-27)46-37-15-10-9-14-33(37)34-17-16-32(24-38(34)46)47-31-13-11-12-30(23-31)45-26-29(25-44-45)40-35(41(3,4)5)20-28(2)21-36(40)42(6,7)8;;;;/h11-22,25-26H,1-10H3;2*10-22,25-26H,1-9H3;9-22,25-26H,1-8H3;;;;/q4*-2;4*+2
InChIKeyNWSDSGHZCAODGG-UHFFFAOYSA-N
MW3303.66 g/mol
LogP43.77
Rot. Bonds20

About 2-[3-[4-(2,6-ditert-butyl-3,4-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))

2-[3-[4-(2,6-ditert-butyl-3,4-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+)) (PubChem CID 158505297) has the molecular formula C172H168N16O4Pt4 and a molecular weight of 3303.66 g/mol. Its IUPAC name is 2-[3-[4-(2,6-ditert-butyl-3,4-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+)).

Molecular Properties

Compound Name2-[3-[4-(2,6-ditert-butyl-3,4-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))
PubChem CID158505297
Molecular FormulaC172H168N16O4Pt4
Molecular Weight3303.66 g/mol
Exact Mass3301.20
IUPAC Name2-[3-[4-(2,6-ditert-butyl-3,4-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))
SMILESCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(C)(C)C)c(C)c(C)c(C)c6C(C)(C)C)cn5)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(C)(C)C)c(C)cc(C)c6C(C)(C)C)cn5)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(C)(C)C)cc(C)c(C)c6C(C)(C)C)cn5)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(C)(C)C)cc(C)cc6C(C)(C)C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C44H44N4O.2C43H42N4O.C42H40N4O.4Pt/c1-27-20-21-45-39(22-27)48-37-17-12-11-16-35(37)36-19-18-34(24-38(36)48)49-33-15-13-14-32(23-33)47-26-31(25-46-47)40-41(43(5,6)7)29(3)28(2)30(4)42(40)44(8,9)10;1-27-19-20-44-39(21-27)47-37-16-11-10-15-34(37)35-18-17-33(24-38(35)47)48-32-14-12-13-31(23-32)46-26-30(25-45-46)40-36(42(4,5)6)22-28(2)29(3)41(40)43(7,8)9;1-27-19-20-44-38(21-27)47-36-16-11-10-15-34(36)35-18-17-33(24-37(35)47)48-32-14-12-13-31(23-32)46-26-30(25-45-46)39-40(42(4,5)6)28(2)22-29(3)41(39)43(7,8)9;1-27-18-19-43-39(22-27)46-37-15-10-9-14-33(37)34-17-16-32(24-38(34)46)47-31-13-11-12-30(23-31)45-26-29(25-44-45)40-35(41(3,4)5)20-28(2)21-36(40)42(6,7)8;;;;/h11-22,25-26H,1-10H3;2*10-22,25-26H,1-9H3;9-22,25-26H,1-8H3;;;;/q4*-2;4*+2
InChIKeyNWSDSGHZCAODGG-UHFFFAOYSA-N
XLogP43.77
TPSA179.48 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms196
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003303.66
LogP ≤ 543.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[3-[4-(2,6-ditert-butyl-3,4-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,6-ditert-butyl-3,4-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))?
The IUPAC name of 2-[3-[4-(2,6-ditert-butyl-3,4-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+)) (CID 158505297) is 2-[3-[4-(2,6-ditert-butyl-3,4-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+)).
What is the SMILES notation for 2-[3-[4-(2,6-ditert-butyl-3,4-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))?
The canonical SMILES for 2-[3-[4-(2,6-ditert-butyl-3,4-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+)) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(C)(C)C)c(C)c(C)c(C)c6C(C)(C)C)cn5)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(C)(C)C)c(C)cc(C)c6C(C)(C)C)cn5)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(C)(C)C)cc(C)c(C)c6C(C)(C)C)cn5)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(C)(C)C)cc(C)cc6C(C)(C)C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 2-[3-[4-(2,6-ditert-butyl-3,4-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))?
The InChIKey is NWSDSGHZCAODGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N4O.2C43H42N4O.C42H40N4O.4Pt/c1-27-20-21-45-39(22-27)48-37-17-12-11-16-35(37)36-19-18-34(24-38(36)48)49-33-15-13-14-32(23-33)47-26-31(25-46-47)40-41(43(5,6)7)29(3)28(2)30(4)42(40)44(8,9)10;1-27-19-20-44-39(21-27)47-37-16-11-10-15-34(37)35-18-17-33(24-38(35)47)48-32-14-12-13-31(23-32)46-26-30(25-45-46)40-36(42(4,5)6)22-28(2)29(3)41(40)43(7,8)9;1-27-19-20-44-38(21-27)47-36-16-11-10-15-34(36)35-18-17-33(24-37(35)47)48-32-14-12-13-31(23-32)46-26-30(25-45-46)39-40(42(4,5)6)28(2)22-29(3)41(39)43(7,8)9;1-27-18-19-43-39(22-27)46-37-15-10-9-14-33(37)34-17-16-32(24-38(34)46)47-31-13-11-12-30(23-31)45-26-29(25-44-45)40-35(41(3,4)5)20-28(2)21-36(40)42(6,7)8;;;;/h11-22,25-26H,1-10H3;2*10-22,25-26H,1-9H3;9-22,25-26H,1-8H3;;;;/q4*-2;4*+2.
What are the key properties of 2-[3-[4-(2,6-ditert-butyl-3,4-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))?
2-[3-[4-(2,6-ditert-butyl-3,4-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+)) has a molecular weight of 3303.66 g/mol, XLogP of 43.77, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2,6-ditert-butyl-3,4-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-4-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-ditert-butyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+)) is sourced from PubChem (CID 158505297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).