2-[3-[3-methyl-5-propan-2-yl-4-[(4R,6S)-2,4,6-trimethylcyclohex-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+)

C₄₃H₄₆N₄OPt — CID 153415954

About 2-[3-[3-methyl-5-propan-2-yl-4-[(4R,6S)-2,4,6-trimethylcyclohex-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-methyl-5-propan-2-yl-4-[(4R,6S)-2,4,6-trimethylcyclohex-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 153415954) has the molecular formula C₄₃H₄₆N₄OPt and a molecular weight of 829.95 g/mol. Its IUPAC name is 2-[3-[3-methyl-5-propan-2-yl-4-[(4R,6S)-2,4,6-trimethylcyclohex-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-methyl-5-propan-2-yl-4-[(4R,6S)-2,4,6-trimethylcyclohex-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: 153415954
• Molecular Formula: C₄₃H₄₆N₄OPt
• Molecular Weight: 829.95 g/mol
• Exact Mass: 829.33
• IUPAC Name: 2-[3-[3-methyl-5-propan-2-yl-4-[(4R,6S)-2,4,6-trimethylcyclohex-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: CC1=C[C@H](C)C[C@H](C)C1c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)cc(C(C)C)c2)c1C(C)C.[Pt+2]
• InChI: InChI=1S/C43H46N4O.Pt/c1-25(2)32-21-33(47-43(26(3)4)42(31(9)45-47)41-29(7)18-28(6)19-30(41)8)23-35(22-32)48-34-14-15-37-36-12-10-11-13-38(36)46(39(37)24-34)40-20-27(5)16-17-44-40;/h10-18,20-22,25-26,28,30,41H,19H2,1-9H3;/q-2;+2/t28-,30-,41?;/m0./s1
• InChIKey: GPAFAFLOPAOHGD-GJDNYEQNSA-N
• XLogP: 11.32
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.95
LogP ≤ 5	11.32
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-methyl-5-propan-2-yl-4-[(4R,6S)-2,4,6-trimethylcyclohex-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-methyl-5-propan-2-yl-4-[(4R,6S)-2,4,6-trimethylcyclohex-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 153415954) is 2-[3-[3-methyl-5-propan-2-yl-4-[(4R,6S)-2,4,6-trimethylcyclohex-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-methyl-5-propan-2-yl-4-[(4R,6S)-2,4,6-trimethylcyclohex-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-methyl-5-propan-2-yl-4-[(4R,6S)-2,4,6-trimethylcyclohex-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 CC1=C[C@H](C)C[C@H](C)C1c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)cc(C(C)C)c2)c1C(C)C.[Pt+2].

What is the InChIKey of 2-[3-[3-methyl-5-propan-2-yl-4-[(4R,6S)-2,4,6-trimethylcyclohex-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 GPAFAFLOPAOHGD-GJDNYEQNSA-N. The full InChI is InChI=1S/C43H46N4O.Pt/c1-25(2)32-21-33(47-43(26(3)4)42(31(9)45-47)41-29(7)18-28(6)19-30(41)8)23-35(22-32)48-34-14-15-37-36-12-10-11-13-38(36)46(39(37)24-34)40-20-27(5)16-17-44-40;/h10-18,20-22,25-26,28,30,41H,19H2,1-9H3;/q-2;+2/t28-,30-,41?;/m0./s1.

What are the key properties of 2-[3-[3-methyl-5-propan-2-yl-4-[(4R,6S)-2,4,6-trimethylcyclohex-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-methyl-5-propan-2-yl-4-[(4R,6S)-2,4,6-trimethylcyclohex-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 829.95 g/mol, XLogP of 11.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-methyl-5-propan-2-yl-4-[(4R,6S)-2,4,6-trimethylcyclohex-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 153415954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153415954 — identifiers, structure, computed properties (public domain)

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