6-benzo[b][1,4]benzoxaborinin-10-yl-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum

C216H155B3N16O4Pt3-6 — CID 163671032

About 6-benzo[b][1,4]benzoxaborinin-10-yl-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum

6-benzo[b][1,4]benzoxaborinin-10-yl-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum (PubChem CID 163671032) has the molecular formula C216H155B3N16O4Pt3-6 and a molecular weight of 3686.58 g/mol. Its IUPAC name is 6-benzo[b][1,4]benzoxaborinin-10-yl-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum.

Molecular Properties

• Compound Name: 6-benzo[b][1,4]benzoxaborinin-10-yl-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum
• PubChem CID: 163671032
• Molecular Formula: C216H155B3N16O4Pt3-6
• Molecular Weight: 3686.58 g/mol
• Exact Mass: 3684.36
• IUPAC Name: 6-benzo[b][1,4]benzoxaborinin-10-yl-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(B6N(c7ccccc7)c7ccccc7N6c6ccccc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(B6N(c7ccccc7-c7ccccc7)c7ccccc7N6c6ccccc6-c6ccccc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(B6c7ccccc7Oc7ccccc76)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C82H59BN6O.C70H51BN6O.C64H45BN4O2.3Pt/c1-82(2,3)61-50-51-84-80(52-61)87-72-49-46-62(83-88(73-40-18-16-36-66(73)57-26-8-4-9-27-57)77-44-22-23-45-78(77)89(83)74-41-19-17-37-67(74)58-28-10-5-11-29-58)53-71(72)70-48-47-65(55-79(70)87)90-64-35-24-34-63(54-64)85-56-86(76-43-21-20-42-75(76)85)81-68(59-30-12-6-13-31-59)38-25-39-69(81)60-32-14-7-15-33-60;1-70(2,3)51-42-43-72-68(44-51)75-62-41-38-52(71-76(53-26-12-6-13-27-53)65-36-18-19-37-66(65)77(71)54-28-14-7-15-29-54)45-61(62)60-40-39-57(47-67(60)75)78-56-31-20-30-55(46-56)73-48-74(64-35-17-16-34-63(64)73)69-58(49-22-8-4-9-23-49)32-21-33-59(69)50-24-10-5-11-25-50;1-64(2,3)45-36-37-66-62(38-45)69-56-35-32-46(65-54-26-10-14-30-60(54)71-61-31-15-11-27-55(61)65)39-53(56)52-34-33-49(41-59(52)69)70-48-23-16-22-47(40-48)67-42-68(58-29-13-12-28-57(58)67)63-50(43-18-6-4-7-19-43)24-17-25-51(63)44-20-8-5-9-21-44;;;/h4-53H,1-3H3;4-45H,1-3H3;4-39H,1-3H3;;;/q3*-2;;;/i6D,7D,12D,13D,14D,15D,30D,31D,32D,33D;4D,5D,8D,9D,10D,11D,22D,23D,24D,25D;4D,5D,6D,7D,8D,9D,18D,19D,20D,21D
• InChIKey: ASAJDNWPZUERFF-WDEMVJIWSA-N
• XLogP: 47.99
• TPSA: 129.77 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 30
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3686.58
LogP ≤ 5	47.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 6-benzo[b][1,4]benzoxaborinin-10-yl-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum?

The IUPAC name of 6-benzo[b][1,4]benzoxaborinin-10-yl-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum (CID 163671032) is 6-benzo[b][1,4]benzoxaborinin-10-yl-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum.

What is the SMILES notation for 6-benzo[b][1,4]benzoxaborinin-10-yl-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum?

The canonical SMILES for 6-benzo[b][1,4]benzoxaborinin-10-yl-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(B6N(c7ccccc7)c7ccccc7N6c6ccccc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(B6N(c7ccccc7-c7ccccc7)c7ccccc7N6c6ccccc6-c6ccccc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(B6c7ccccc7Oc7ccccc76)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].[Pt].[Pt].

What is the InChIKey of 6-benzo[b][1,4]benzoxaborinin-10-yl-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum?

The InChIKey is ASAJDNWPZUERFF-WDEMVJIWSA-N. The full InChI is InChI=1S/C82H59BN6O.C70H51BN6O.C64H45BN4O2.3Pt/c1-82(2,3)61-50-51-84-80(52-61)87-72-49-46-62(83-88(73-40-18-16-36-66(73)57-26-8-4-9-27-57)77-44-22-23-45-78(77)89(83)74-41-19-17-37-67(74)58-28-10-5-11-29-58)53-71(72)70-48-47-65(55-79(70)87)90-64-35-24-34-63(54-64)85-56-86(76-43-21-20-42-75(76)85)81-68(59-30-12-6-13-31-59)38-25-39-69(81)60-32-14-7-15-33-60;1-70(2,3)51-42-43-72-68(44-51)75-62-41-38-52(71-76(53-26-12-6-13-27-53)65-36-18-19-37-66(65)77(71)54-28-14-7-15-29-54)45-61(62)60-40-39-57(47-67(60)75)78-56-31-20-30-55(46-56)73-48-74(64-35-17-16-34-63(64)73)69-58(49-22-8-4-9-23-49)32-21-33-59(69)50-24-10-5-11-25-50;1-64(2,3)45-36-37-66-62(38-45)69-56-35-32-46(65-54-26-10-14-30-60(54)71-61-31-15-11-27-55(61)65)39-53(56)52-34-33-49(41-59(52)69)70-48-23-16-22-47(40-48)67-42-68(58-29-13-12-28-57(58)67)63-50(43-18-6-4-7-19-43)24-17-25-51(63)44-20-8-5-9-21-44;;;/h4-53H,1-3H3;4-45H,1-3H3;4-39H,1-3H3;;;/q3*-2;;;/i6D,7D,12D,13D,14D,15D,30D,31D,32D,33D;4D,5D,8D,9D,10D,11D,22D,23D,24D,25D;4D,5D,6D,7D,8D,9D,18D,19D,20D,21D;;;.

What are the key properties of 6-benzo[b][1,4]benzoxaborinin-10-yl-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum?

6-benzo[b][1,4]benzoxaborinin-10-yl-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum has a molecular weight of 3686.58 g/mol, XLogP of 47.99, 30 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzo[b][1,4]benzoxaborinin-10-yl-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-bis(2-phenylphenyl)-1,3,2-benzodiazaborole;2-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-1,3-diphenyl-1,3,2-benzodiazaborole;platinum is sourced from PubChem (CID 163671032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).