2-[3-[3,5-ditert-butyl-4-[(4R,6S)-4-methoxy-2,6-dimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C47H54N4O2Pt — CID 153415962

About 2-[3-[3,5-ditert-butyl-4-[(4R,6S)-4-methoxy-2,6-dimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[3,5-ditert-butyl-4-[(4R,6S)-4-methoxy-2,6-dimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415962) has the molecular formula C47H54N4O2Pt and a molecular weight of 902.05 g/mol. Its IUPAC name is 2-[3-[3,5-ditert-butyl-4-[(4R,6S)-4-methoxy-2,6-dimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[3,5-ditert-butyl-4-[(4R,6S)-4-methoxy-2,6-dimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415962
• Molecular Formula: C47H54N4O2Pt
• Molecular Weight: 902.05 g/mol
• Exact Mass: 901.39
• IUPAC Name: 2-[3-[3,5-ditert-butyl-4-[(4R,6S)-4-methoxy-2,6-dimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CO[C@H]1C=C(C)C(c2c(C(C)(C)C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)ccn4)cc(C(C)C)c3)c2C(C)(C)C)[C@@H](C)C1.[Pt+2]
• InChI: InChI=1S/C47H54N4O2.Pt/c1-28(2)32-24-33(51-45(47(9,10)11)43(44(49-51)46(6,7)8)42-30(4)22-35(52-12)23-31(42)5)26-36(25-32)53-34-17-18-38-37-15-13-14-16-39(37)50(40(38)27-34)41-21-29(3)19-20-48-41;/h13-22,24-25,28,31,35,42H,23H2,1-12H3;/q-2;+2/t31-,35-,42?;/m0./s1
• InChIKey: VHFKEQAGNPQHIK-HKEDVWAESA-N
• XLogP: 11.87
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	902.05
LogP ≤ 5	11.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-ditert-butyl-4-[(4R,6S)-4-methoxy-2,6-dimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[3,5-ditert-butyl-4-[(4R,6S)-4-methoxy-2,6-dimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153415962) is 2-[3-[3,5-ditert-butyl-4-[(4R,6S)-4-methoxy-2,6-dimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[3,5-ditert-butyl-4-[(4R,6S)-4-methoxy-2,6-dimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CO[C@H]1C=C(C)C(c2c(C(C)(C)C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)ccn4)cc(C(C)C)c3)c2C(C)(C)C)[C@@H](C)C1.[Pt+2].

What is the InChIKey of 2-[3-[3,5-ditert-butyl-4-[(4R,6S)-4-methoxy-2,6-dimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is VHFKEQAGNPQHIK-HKEDVWAESA-N. The full InChI is InChI=1S/C47H54N4O2.Pt/c1-28(2)32-24-33(51-45(47(9,10)11)43(44(49-51)46(6,7)8)42-30(4)22-35(52-12)23-31(42)5)26-36(25-32)53-34-17-18-38-37-15-13-14-16-39(37)50(40(38)27-34)41-21-29(3)19-20-48-41;/h13-22,24-25,28,31,35,42H,23H2,1-12H3;/q-2;+2/t31-,35-,42?;/m0./s1.

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

2-[3-[3,5-ditert-butyl-4-[(4R,6S)-4-methoxy-2,6-dimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 902.05 g/mol, XLogP of 11.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-ditert-butyl-4-[(4R,6S)-4-methoxy-2,6-dimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153415962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).