9-(4-butyl-2-pyridinyl)-2-[3-[4-(2,6-diethylphenyl)-3,5-diethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

C47H50N4OPt — CID 153416102

About 9-(4-butyl-2-pyridinyl)-2-[3-[4-(2,6-diethylphenyl)-3,5-diethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

9-(4-butyl-2-pyridinyl)-2-[3-[4-(2,6-diethylphenyl)-3,5-diethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153416102) has the molecular formula C47H50N4OPt and a molecular weight of 882.02 g/mol. Its IUPAC name is 9-(4-butyl-2-pyridinyl)-2-[3-[4-(2,6-diethylphenyl)-3,5-diethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-butyl-2-pyridinyl)-2-[3-[4-(2,6-diethylphenyl)-3,5-diethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153416102
• Molecular Formula: C47H50N4OPt
• Molecular Weight: 882.02 g/mol
• Exact Mass: 881.36
• IUPAC Name: 9-(4-butyl-2-pyridinyl)-2-[3-[4-(2,6-diethylphenyl)-3,5-diethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(CC)c(-c6c(CC)cccc6CC)c5CC)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C47H50N4O.Pt/c1-8-13-17-32-24-25-48-45(26-32)50-43-21-15-14-20-39(43)40-23-22-37(30-44(40)50)52-38-28-35(31(6)7)27-36(29-38)51-42(12-5)47(41(11-4)49-51)46-33(9-2)18-16-19-34(46)10-3;/h14-16,18-28,31H,8-13,17H2,1-7H3;/q-2;+2
• InChIKey: CWODREKFHGGSSV-UHFFFAOYSA-N
• XLogP: 12.14
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.02
LogP ≤ 5	12.14
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 9-(4-butyl-2-pyridinyl)-2-[3-[4-(2,6-diethylphenyl)-3,5-diethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-butyl-2-pyridinyl)-2-[3-[4-(2,6-diethylphenyl)-3,5-diethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153416102) is 9-(4-butyl-2-pyridinyl)-2-[3-[4-(2,6-diethylphenyl)-3,5-diethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 9-(4-butyl-2-pyridinyl)-2-[3-[4-(2,6-diethylphenyl)-3,5-diethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is CCCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(CC)c(-c6c(CC)cccc6CC)c5CC)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of 9-(4-butyl-2-pyridinyl)-2-[3-[4-(2,6-diethylphenyl)-3,5-diethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is CWODREKFHGGSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H50N4O.Pt/c1-8-13-17-32-24-25-48-45(26-32)50-43-21-15-14-20-39(43)40-23-22-37(30-44(40)50)52-38-28-35(31(6)7)27-36(29-38)51-42(12-5)47(41(11-4)49-51)46-33(9-2)18-16-19-34(46)10-3;/h14-16,18-28,31H,8-13,17H2,1-7H3;/q-2;+2.

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

9-(4-butyl-2-pyridinyl)-2-[3-[4-(2,6-diethylphenyl)-3,5-diethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 882.02 g/mol, XLogP of 12.14, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-butyl-2-pyridinyl)-2-[3-[4-(2,6-diethylphenyl)-3,5-diethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153416102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).