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

C45H46N4O2Pt — CID 153442203

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

2-[3-tert-butyl-5-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-methoxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153442203) has the molecular formula C45H46N4O2Pt and a molecular weight of 869.97 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-methoxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-methoxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153442203
• Molecular Formula: C45H46N4O2Pt
• Molecular Weight: 869.97 g/mol
• Exact Mass: 869.33
• IUPAC Name: 2-[3-tert-butyl-5-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-methoxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(OC)ccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c(CC)c1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C45H46N4O2.Pt/c1-10-38-43(29-15-13-12-14-16-29)39(11-2)49(47-38)32-23-31(45(6,7)8)24-35(26-32)51-34-17-19-36-37-27-33(50-9)18-20-40(37)48(41(36)28-34)42-25-30(21-22-46-42)44(3,4)5;/h12-25,27H,10-11H2,1-9H3;/q-2;+2
• InChIKey: WOKMEYNSVAODAK-UHFFFAOYSA-N
• XLogP: 11.15
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.97
LogP ≤ 5	11.15
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-tert-butyl-5-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-methoxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-tert-butyl-5-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-methoxy-1H-carbazol-1-ide;platinum(2+) (CID 153442203) is 2-[3-tert-butyl-5-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-methoxy-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-tert-butyl-5-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-methoxy-1H-carbazol-1-ide;platinum(2+) is CCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(OC)ccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c(CC)c1-c1ccccc1.[Pt+2].

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

The InChIKey is WOKMEYNSVAODAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N4O2.Pt/c1-10-38-43(29-15-13-12-14-16-29)39(11-2)49(47-38)32-23-31(45(6,7)8)24-35(26-32)51-34-17-19-36-37-27-33(50-9)18-20-40(37)48(41(36)28-34)42-25-30(21-22-46-42)44(3,4)5;/h12-25,27H,10-11H2,1-9H3;/q-2;+2.

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

2-[3-tert-butyl-5-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-methoxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 869.97 g/mol, XLogP of 11.15, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-methoxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153442203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).