6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

C46H48N4OPt — CID 153440838

About 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153440838) has the molecular formula C46H48N4OPt and a molecular weight of 867.99 g/mol. Its IUPAC name is 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153440838
• Molecular Formula: C46H48N4OPt
• Molecular Weight: 867.99 g/mol
• Exact Mass: 867.35
• IUPAC Name: 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCc1c(-c2ccccc2)c(C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2cc(C(C)CC)ccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)C)c1.[Pt+2]
• InChI: InChI=1S/C46H48N4O.Pt/c1-10-30(5)33-17-20-42-40(25-33)39-19-18-37(28-43(39)49(42)44-26-35(21-22-47-44)46(7,8)9)51-38-24-34(29(3)4)23-36(27-38)50-41(11-2)45(31(6)48-50)32-15-13-12-14-16-32;/h12-26,29-30H,10-11H2,1-9H3;/q-2;+2
• InChIKey: MULBYPKEEICREF-UHFFFAOYSA-N
• XLogP: 12.23
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.99
LogP ≤ 5	12.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153440838) is 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is CCc1c(-c2ccccc2)c(C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2cc(C(C)CC)ccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)C)c1.[Pt+2].

What is the InChIKey of 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is MULBYPKEEICREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N4O.Pt/c1-10-30(5)33-17-20-42-40(25-33)39-19-18-37(28-43(39)49(42)44-26-35(21-22-47-44)46(7,8)9)51-38-24-34(29(3)4)23-36(27-38)50-41(11-2)45(31(6)48-50)32-15-13-12-14-16-32;/h12-26,29-30H,10-11H2,1-9H3;/q-2;+2.

What are the key properties of 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 867.99 g/mol, XLogP of 12.23, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153440838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).