1-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)-8-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)azaborinino[1,2-a]azaborinine;platinum

C62H55BN5OPt-3 — CID 176641001

About 1-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)-8-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)azaborinino[1,2-a]azaborinine;platinum

1-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)-8-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)azaborinino[1,2-a]azaborinine;platinum (PubChem CID 176641001) has the molecular formula C62H55BN5OPt-3 and a molecular weight of 1097.08 g/mol. Its IUPAC name is 1-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)-8-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)azaborinino[1,2-a]azaborinine;platinum.

Molecular Properties

• Compound Name: 1-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)-8-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)azaborinino[1,2-a]azaborinine;platinum
• PubChem CID: 176641001
• Molecular Formula: C62H55BN5OPt-3
• Molecular Weight: 1097.08 g/mol
• Exact Mass: 1096.45
• IUPAC Name: 1-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)-8-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)azaborinino[1,2-a]azaborinine;platinum
• SMILES: [2H]c1c([2H])c([2H])c(C2=C(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)B3C=C(c4ccc5c(c4)C(C)(C)CCC5(C)C)C=CN3C=C2)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C62H55BN5O.Pt/c1-60(2,3)45-28-33-64-58(37-45)68-54-21-12-11-20-50(54)51-26-25-48(39-57(51)68)69-47-19-15-18-46(38-47)66-41-67(56-23-14-13-22-55(56)66)59-49(42-16-9-8-10-17-42)30-35-65-34-29-44(40-63(59)65)43-24-27-52-53(36-43)62(6,7)32-31-61(52,4)5;/h8-30,33-37,40-41H,31-32H2,1-7H3;/q-3;/i8D,9D,10D,16D,17D
• InChIKey: KVVFILXZPFZKEM-PBFUQUOKSA-N
• XLogP: 15.21
• TPSA: 36.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1097.08
LogP ≤ 5	15.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 1-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)-8-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)azaborinino[1,2-a]azaborinine;platinum?

The IUPAC name of 1-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)-8-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)azaborinino[1,2-a]azaborinine;platinum (CID 176641001) is 1-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)-8-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)azaborinino[1,2-a]azaborinine;platinum.

What is the SMILES notation for 1-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)-8-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)azaborinino[1,2-a]azaborinine;platinum?

The canonical SMILES for 1-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)-8-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)azaborinino[1,2-a]azaborinine;platinum is [2H]c1c([2H])c([2H])c(C2=C(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)B3C=C(c4ccc5c(c4)C(C)(C)CCC5(C)C)C=CN3C=C2)c([2H])c1[2H].[Pt].

What is the InChIKey of 1-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)-8-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)azaborinino[1,2-a]azaborinine;platinum?

The InChIKey is KVVFILXZPFZKEM-PBFUQUOKSA-N. The full InChI is InChI=1S/C62H55BN5O.Pt/c1-60(2,3)45-28-33-64-58(37-45)68-54-21-12-11-20-50(54)51-26-25-48(39-57(51)68)69-47-19-15-18-46(38-47)66-41-67(56-23-14-13-22-55(56)66)59-49(42-16-9-8-10-17-42)30-35-65-34-29-44(40-63(59)65)43-24-27-52-53(36-43)62(6,7)32-31-61(52,4)5;/h8-30,33-37,40-41H,31-32H2,1-7H3;/q-3;/i8D,9D,10D,16D,17D;.

What are the key properties of 1-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)-8-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)azaborinino[1,2-a]azaborinine;platinum?

1-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)-8-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)azaborinino[1,2-a]azaborinine;platinum has a molecular weight of 1097.08 g/mol, XLogP of 15.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)-8-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)azaborinino[1,2-a]azaborinine;platinum is sourced from PubChem (CID 176641001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).