2-[3-tert-butyl-5-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

C51H62N4OPt — CID 153417524

About 2-[3-tert-butyl-5-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

2-[3-tert-butyl-5-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153417524) has the molecular formula C51H62N4OPt and a molecular weight of 942.16 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153417524
• Molecular Formula: C51H62N4OPt
• Molecular Weight: 942.16 g/mol
• Exact Mass: 941.46
• IUPAC Name: 2-[3-tert-butyl-5-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(CC(C)C)ccn3)cc(C(C)(C)C)c2)c(C)c1C1C(C(C)C)=C[C@H](C(C)C)C[C@@H]1C(C)C.[Pt+2]
• InChI: InChI=1S/C51H62N4O.Pt/c1-30(2)22-36-20-21-52-48(23-36)54-46-17-15-14-16-42(46)43-19-18-40(29-47(43)54)56-41-27-38(51(11,12)13)26-39(28-41)55-35(10)49(34(9)53-55)50-44(32(5)6)24-37(31(3)4)25-45(50)33(7)8;/h14-21,23-24,26-27,30-33,37,45,50H,22,25H2,1-13H3;/q-2;+2/t37-,45+,50?;/m0./s1
• InChIKey: SHNRAUUBZXRIPV-MCISAZQMSA-N
• XLogP: 13.48
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	942.16
LogP ≤ 5	13.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-tert-butyl-5-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 153417524) is 2-[3-tert-butyl-5-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-tert-butyl-5-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-tert-butyl-5-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(CC(C)C)ccn3)cc(C(C)(C)C)c2)c(C)c1C1C(C(C)C)=C[C@H](C(C)C)C[C@@H]1C(C)C.[Pt+2].

What is the InChIKey of 2-[3-tert-butyl-5-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is SHNRAUUBZXRIPV-MCISAZQMSA-N. The full InChI is InChI=1S/C51H62N4O.Pt/c1-30(2)22-36-20-21-52-48(23-36)54-46-17-15-14-16-42(46)43-19-18-40(29-47(43)54)56-41-27-38(51(11,12)13)26-39(28-41)55-35(10)49(34(9)53-55)50-44(32(5)6)24-37(31(3)4)25-45(50)33(7)8;/h14-21,23-24,26-27,30-33,37,45,50H,22,25H2,1-13H3;/q-2;+2/t37-,45+,50?;/m0./s1.

What are the key properties of 2-[3-tert-butyl-5-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

2-[3-tert-butyl-5-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 942.16 g/mol, XLogP of 13.48, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153417524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).