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

C₅₀H₆₀N₄OPt — CID 153415956

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

2-[3-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415956) has the molecular formula C₅₀H₆₀N₄OPt and a molecular weight of 928.13 g/mol. Its IUPAC name is 2-[3-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415956
• Molecular Formula: C₅₀H₆₀N₄OPt
• Molecular Weight: 928.13 g/mol
• Exact Mass: 927.44
• IUPAC Name: 2-[3-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-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)c2)c(C)c1C1C(C(C)C)=C[C@H](C(C)C)C[C@@H]1C(C)C.[Pt+2]
• InChI: InChI=1S/C50H60N4O.Pt/c1-29(2)21-36-19-20-51-48(22-36)53-46-16-14-13-15-42(46)43-18-17-40(28-47(43)53)55-41-24-37(30(3)4)23-39(27-41)54-35(12)49(34(11)52-54)50-44(32(7)8)25-38(31(5)6)26-45(50)33(9)10;/h13-20,22-25,29-33,38,45,50H,21,26H2,1-12H3;/q-2;+2/t38-,45+,50?;/m0./s1
• InChIKey: YVSWRIZNFMUHBC-JZAWIOEWSA-N
• XLogP: 13.31
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.13
LogP ≤ 5	13.31
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-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 153415956) is 2-[3-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-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)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-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is YVSWRIZNFMUHBC-JZAWIOEWSA-N. The full InChI is InChI=1S/C50H60N4O.Pt/c1-29(2)21-36-19-20-51-48(22-36)53-46-16-14-13-15-42(46)43-18-17-40(28-47(43)53)55-41-24-37(30(3)4)23-39(27-41)54-35(12)49(34(11)52-54)50-44(32(7)8)25-38(31(5)6)26-45(50)33(9)10;/h13-20,22-25,29-33,38,45,50H,21,26H2,1-12H3;/q-2;+2/t38-,45+,50?;/m0./s1.

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

2-[3-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 928.13 g/mol, XLogP of 13.31, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-dimethyl-4-[(4S,6R)-2,4,6-tri(propan-2-yl)cyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153415956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153415956 — identifiers, structure, computed properties (public domain)

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