[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-phenylborane;platinum

C47H44BN4Pt-3 — CID 167381883

About [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-phenylborane;platinum

[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-phenylborane;platinum (PubChem CID 167381883) has the molecular formula C47H44BN4Pt-3 and a molecular weight of 870.79 g/mol. Its IUPAC name is [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-phenylborane;platinum.

Molecular Properties

• Compound Name: [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-phenylborane;platinum
• PubChem CID: 167381883
• Molecular Formula: C47H44BN4Pt-3
• Molecular Weight: 870.79 g/mol
• Exact Mass: 870.33
• IUPAC Name: [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-phenylborane;platinum
• SMILES: Cc1c(C)c(C)c(N2C=CN(c3[c-]c(B(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)c4ccccc4)ccc3)[CH-]2)c(C)c1C.[Pt]
• InChI: InChI=1S/C47H44BN4.Pt/c1-31-32(2)34(4)46(35(5)33(31)3)51-26-25-50(30-51)40-18-14-17-38(28-40)48(37-15-10-9-11-16-37)39-21-22-42-41-19-12-13-20-43(41)52(44(42)29-39)45-27-36(23-24-49-45)47(6,7)8;/h9-27,30H,1-8H3;/q-3
• InChIKey: FOCKTYZZVKLSDB-UHFFFAOYSA-N
• XLogP: 9.05
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.79
LogP ≤ 5	9.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-phenylborane;platinum?

The IUPAC name of [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-phenylborane;platinum (CID 167381883) is [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-phenylborane;platinum.

What is the SMILES notation for [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-phenylborane;platinum?

The canonical SMILES for [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-phenylborane;platinum is Cc1c(C)c(C)c(N2C=CN(c3[c-]c(B(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)c4ccccc4)ccc3)[CH-]2)c(C)c1C.[Pt].

What is the InChIKey of [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-phenylborane;platinum?

The InChIKey is FOCKTYZZVKLSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H44BN4.Pt/c1-31-32(2)34(4)46(35(5)33(31)3)51-26-25-50(30-51)40-18-14-17-38(28-40)48(37-15-10-9-11-16-37)39-21-22-42-41-19-12-13-20-43(41)52(44(42)29-39)45-27-36(23-24-49-45)47(6,7)8;/h9-27,30H,1-8H3;/q-3;.

What are the key properties of [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-phenylborane;platinum?

[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-phenylborane;platinum has a molecular weight of 870.79 g/mol, XLogP of 9.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-phenylborane;platinum is sourced from PubChem (CID 167381883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).