2-[3-[3,5-dibutyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C46H48N4OPt — CID 153416871

About 2-[3-[3,5-dibutyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[3,5-dibutyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153416871) has the molecular formula C46H48N4OPt and a molecular weight of 867.99 g/mol. Its IUPAC name is 2-[3-[3,5-dibutyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[3,5-dibutyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153416871
• Molecular Formula: C46H48N4OPt
• Molecular Weight: 867.99 g/mol
• Exact Mass: 867.35
• IUPAC Name: 2-[3-[3,5-dibutyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(CCCC)c1-c1c(C)c(C)c(C)c(C)c1C.[Pt+2]
• InChI: InChI=1S/C46H48N4O.Pt/c1-9-11-19-40-46(45-33(7)31(5)30(4)32(6)34(45)8)42(20-12-10-2)50(48-40)35-16-15-17-36(27-35)51-37-22-23-39-38-18-13-14-21-41(38)49(43(39)28-37)44-26-29(3)24-25-47-44;/h13-18,21-26H,9-12,19-20H2,1-8H3;/q-2;+2
• InChIKey: YPDUIUXMIUCCKG-UHFFFAOYSA-N
• XLogP: 11.96
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.99
LogP ≤ 5	11.96
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 2-[3-[3,5-dibutyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[3,5-dibutyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153416871) is 2-[3-[3,5-dibutyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[3,5-dibutyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[3,5-dibutyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(CCCC)c1-c1c(C)c(C)c(C)c(C)c1C.[Pt+2].

What is the InChIKey of 2-[3-[3,5-dibutyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is YPDUIUXMIUCCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N4O.Pt/c1-9-11-19-40-46(45-33(7)31(5)30(4)32(6)34(45)8)42(20-12-10-2)50(48-40)35-16-15-17-36(27-35)51-37-22-23-39-38-18-13-14-21-41(38)49(43(39)28-37)44-26-29(3)24-25-47-44;/h13-18,21-26H,9-12,19-20H2,1-8H3;/q-2;+2.

What are the key properties of 2-[3-[3,5-dibutyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-[3,5-dibutyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 867.99 g/mol, XLogP of 11.96, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-dibutyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153416871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).