6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C40H36N4OPt — CID 153441767

About 6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441767) has the molecular formula C40H36N4OPt and a molecular weight of 784.84 g/mol. Its IUPAC name is 6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441767
• Molecular Formula: C40H36N4OPt
• Molecular Weight: 784.84 g/mol
• Exact Mass: 784.26
• IUPAC Name: 6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: [2H]c1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)cc(CCCCC)c3)[c-]c1n2-c1cc(C)ccn1.[Pt+2]
• InChI: InChI=1S/C40H36N4O.Pt/c1-5-6-8-13-30-23-32(44-29(4)40(28(3)42-44)31-14-9-7-10-15-31)25-34(24-30)45-33-18-19-36-35-16-11-12-17-37(35)43(38(36)26-33)39-22-27(2)20-21-41-39;/h7,9-12,14-24H,5-6,8,13H2,1-4H3;/q-2;+2/i11D
• InChIKey: RZRFMFYLNBVLFI-DBHJEENASA-N
• XLogP: 10.08
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.84
LogP ≤ 5	10.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153441767) is 6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is [2H]c1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)cc(CCCCC)c3)[c-]c1n2-c1cc(C)ccn1.[Pt+2].

What is the InChIKey of 6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is RZRFMFYLNBVLFI-DBHJEENASA-N. The full InChI is InChI=1S/C40H36N4O.Pt/c1-5-6-8-13-30-23-32(44-29(4)40(28(3)42-44)31-14-9-7-10-15-31)25-34(24-30)45-33-18-19-36-35-16-11-12-17-37(35)43(38(36)26-33)39-22-27(2)20-21-41-39;/h7,9-12,14-24H,5-6,8,13H2,1-4H3;/q-2;+2/i11D;.

What are the key properties of 6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 784.84 g/mol, XLogP of 10.08, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-pentylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).