2-[[3-[3-[2,6-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxymethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

C54H61B6N4O7Pt-3 — CID 177285627

About 2-[[3-[3-[2,6-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxymethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

2-[[3-[3-[2,6-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxymethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 177285627) has the molecular formula C54H61B6N4O7Pt-3 and a molecular weight of 1138.05 g/mol. Its IUPAC name is 2-[[3-[3-[2,6-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxymethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[[3-[3-[2,6-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxymethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 177285627
• Molecular Formula: C54H61B6N4O7Pt-3
• Molecular Weight: 1138.05 g/mol
• Exact Mass: 1138.48
• IUPAC Name: 2-[[3-[3-[2,6-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxymethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)B1OB(c2cccc(B3OB(C(C)(C)C)OB(C(C)(C)C)O3)c2N2[CH-]N(c3[c-]c(COCc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3)c3ccccc32)OB(C(C)(C)C)O1.[Pt]
• InChI: InChI=1S/C54H61B6N4O7.Pt/c1-51(2,3)57-66-55(67-58(70-57)52(4,5)6)43-24-20-25-44(56-68-59(53(7,8)9)71-60(69-56)54(10,11)12)50(43)63-37-62(46-27-15-16-28-47(46)63)40-22-19-21-38(33-40)35-65-36-39-30-31-42-41-23-13-14-26-45(41)64(48(42)34-39)49-29-17-18-32-61-49;/h13-32,37H,35-36H2,1-12H3;/q-3
• InChIKey: WJSHTXAZHDNLJO-UHFFFAOYSA-N
• XLogP: 11.57
• TPSA: 88.91 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1138.05
LogP ≤ 5	11.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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 2-[[3-[3-[2,6-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxymethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[[3-[3-[2,6-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxymethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 177285627) is 2-[[3-[3-[2,6-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxymethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[[3-[3-[2,6-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxymethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[[3-[3-[2,6-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxymethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is CC(C)(C)B1OB(c2cccc(B3OB(C(C)(C)C)OB(C(C)(C)C)O3)c2N2[CH-]N(c3[c-]c(COCc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3)c3ccccc32)OB(C(C)(C)C)O1.[Pt].

What is the InChIKey of 2-[[3-[3-[2,6-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxymethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The InChIKey is WJSHTXAZHDNLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H61B6N4O7.Pt/c1-51(2,3)57-66-55(67-58(70-57)52(4,5)6)43-24-20-25-44(56-68-59(53(7,8)9)71-60(69-56)54(10,11)12)50(43)63-37-62(46-27-15-16-28-47(46)63)40-22-19-21-38(33-40)35-65-36-39-30-31-42-41-23-13-14-26-45(41)64(48(42)34-39)49-29-17-18-32-61-49;/h13-32,37H,35-36H2,1-12H3;/q-3;.

What are the key properties of 2-[[3-[3-[2,6-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxymethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

2-[[3-[3-[2,6-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxymethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 1138.05 g/mol, XLogP of 11.57, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[3-[2,6-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxymethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 177285627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).