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

C62H70B6N5O7Pt-3 — CID 177285655

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

2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-2-methyl-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum (PubChem CID 177285655) has the molecular formula C62H70B6N5O7Pt-3 and a molecular weight of 1257.22 g/mol. Its IUPAC name is 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-2-methyl-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-2-methyl-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum
• PubChem CID: 177285655
• Molecular Formula: C62H70B6N5O7Pt-3
• Molecular Weight: 1257.22 g/mol
• Exact Mass: 1257.55
• IUPAC Name: 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-2-methyl-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum
• SMILES: Cc1ncc(N2[CH-]N(c3cc(B4OB(C(C)(C)C)OB(C(C)(C)C)O4)cc(B4OB(C(C)(C)C)OB(C(C)(C)C)O4)c3)c3ccccc32)[c-]c1Oc1[c-]c2c(cc1)c1cc(-c3ccccc3)ccc1n2-c1cc(C(C)(C)C)ccn1.[Pt]
• InChI: InChI=1S/C62H70B6N5O7.Pt/c1-41-56(74-49-27-28-50-51-32-43(42-22-18-17-19-23-42)26-29-52(51)73(55(50)38-49)57-33-44(30-31-69-57)58(2,3)4)37-48(39-70-41)72-40-71(53-24-20-21-25-54(53)72)47-35-45(63-75-65(59(5,6)7)79-66(76-63)60(8,9)10)34-46(36-47)64-77-67(61(11,12)13)80-68(78-64)62(14,15)16;/h17-36,39-40H,1-16H3;/q-3
• InChIKey: OJUGTIAJYKXXCW-UHFFFAOYSA-N
• XLogP: 14.32
• TPSA: 101.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1257.22
LogP ≤ 5	14.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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

The IUPAC name of 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-2-methyl-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum (CID 177285655) is 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-2-methyl-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-2-methyl-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum is Cc1ncc(N2[CH-]N(c3cc(B4OB(C(C)(C)C)OB(C(C)(C)C)O4)cc(B4OB(C(C)(C)C)OB(C(C)(C)C)O4)c3)c3ccccc32)[c-]c1Oc1[c-]c2c(cc1)c1cc(-c3ccccc3)ccc1n2-c1cc(C(C)(C)C)ccn1.[Pt].

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

The InChIKey is OJUGTIAJYKXXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H70B6N5O7.Pt/c1-41-56(74-49-27-28-50-51-32-43(42-22-18-17-19-23-42)26-29-52(51)73(55(50)38-49)57-33-44(30-31-69-57)58(2,3)4)37-48(39-70-41)72-40-71(53-24-20-21-25-54(53)72)47-35-45(63-75-65(59(5,6)7)79-66(76-63)60(8,9)10)34-46(36-47)64-77-67(61(11,12)13)80-68(78-64)62(14,15)16;/h17-36,39-40H,1-16H3;/q-3;.

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

2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-2-methyl-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum has a molecular weight of 1257.22 g/mol, XLogP of 14.32, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[3-[3,5-bis(4,6-ditert-butyl-1,3,5,2,4,6-trioxatriborinan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-2-methyl-4H-pyridin-4-id-3-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 177285655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).