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

C40H36N4O2Pt — CID 153442155

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

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-methoxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153442155) has the molecular formula C40H36N4O2Pt and a molecular weight of 799.83 g/mol. Its IUPAC name is 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-methoxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-methoxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153442155
• Molecular Formula: C40H36N4O2Pt
• Molecular Weight: 799.83 g/mol
• Exact Mass: 799.25
• IUPAC Name: 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-methoxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: COc1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)ccc3)[c-]c1n2-c1cc(CC(C)(C)C)ccn1.[Pt+2]
• InChI: InChI=1S/C40H36N4O2.Pt/c1-26-39(29-11-8-7-9-12-29)27(2)44(42-26)30-13-10-14-32(22-30)46-33-15-17-34-35-23-31(45-6)16-18-36(35)43(37(34)24-33)38-21-28(19-20-41-38)25-40(3,4)5;/h7-21,23H,25H2,1-6H3;/q-2;+2
• InChIKey: LMNVWBXOJMTVNK-UHFFFAOYSA-N
• XLogP: 9.64
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.83
LogP ≤ 5	9.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-methoxy-1H-carbazol-1-ide;platinum(2+) (CID 153442155) is 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-methoxy-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-methoxy-1H-carbazol-1-ide;platinum(2+) is COc1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)ccc3)[c-]c1n2-c1cc(CC(C)(C)C)ccn1.[Pt+2].

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

The InChIKey is LMNVWBXOJMTVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N4O2.Pt/c1-26-39(29-11-8-7-9-12-29)27(2)44(42-26)30-13-10-14-32(22-30)46-33-15-17-34-35-23-31(45-6)16-18-36(35)43(37(34)24-33)38-21-28(19-20-41-38)25-40(3,4)5;/h7-21,23H,25H2,1-6H3;/q-2;+2.

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

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-methoxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 799.83 g/mol, XLogP of 9.64, 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-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-methoxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153442155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).