2-[3-[5-butyl-3-methyl-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+)

C43H42N4OPt — CID 153416066

About 2-[3-[5-butyl-3-methyl-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-[5-butyl-3-methyl-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 153416066) has the molecular formula C43H42N4OPt and a molecular weight of 825.91 g/mol. Its IUPAC name is 2-[3-[5-butyl-3-methyl-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-[5-butyl-3-methyl-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: 153416066
• Molecular Formula: C43H42N4OPt
• Molecular Weight: 825.91 g/mol
• Exact Mass: 825.30
• IUPAC Name: 2-[3-[5-butyl-3-methyl-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: CCCCc1c(-c2c(C)c(C)c(C)c(C)c2C)c(C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.[Pt+2]
• InChI: InChI=1S/C43H42N4O.Pt/c1-9-10-17-39-43(42-30(6)28(4)27(3)29(5)31(42)7)32(8)45-47(39)33-14-13-15-34(24-33)48-35-19-20-37-36-16-11-12-18-38(36)46(40(37)25-35)41-23-26(2)21-22-44-41;/h11-16,18-23H,9-10,17H2,1-8H3;/q-2;+2
• InChIKey: UADFPIPXNKQCKI-UHFFFAOYSA-N
• XLogP: 10.92
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.91
LogP ≤ 5	10.92
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-[5-butyl-3-methyl-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-[5-butyl-3-methyl-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 153416066) is 2-[3-[5-butyl-3-methyl-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-[5-butyl-3-methyl-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-[5-butyl-3-methyl-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 CCCCc1c(-c2c(C)c(C)c(C)c(C)c2C)c(C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.[Pt+2].

What is the InChIKey of 2-[3-[5-butyl-3-methyl-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 UADFPIPXNKQCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42N4O.Pt/c1-9-10-17-39-43(42-30(6)28(4)27(3)29(5)31(42)7)32(8)45-47(39)33-14-13-15-34(24-33)48-35-19-20-37-36-16-11-12-18-38(36)46(40(37)25-35)41-23-26(2)21-22-44-41;/h11-16,18-23H,9-10,17H2,1-8H3;/q-2;+2.

What are the key properties of 2-[3-[5-butyl-3-methyl-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-[5-butyl-3-methyl-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 825.91 g/mol, XLogP of 10.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-butyl-3-methyl-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 153416066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).