9-[2-[20,30-bis(2-carbazol-9-ylphenyl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl]phenyl]carbazole;9-[4-carbazol-9-yl-6-[3-(20,30-diphenyl-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;methane;10,20,30-tri(dibenzothiophen-4-yl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaene

C208H127B9N8O9S3 — CID 167534521

About 9-[2-[20,30-bis(2-carbazol-9-ylphenyl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl]phenyl]carbazole;9-[4-carbazol-9-yl-6-[3-(20,30-diphenyl-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;methane;10,20,30-tri(dibenzothiophen-4-yl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaene

9-[2-[20,30-bis(2-carbazol-9-ylphenyl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl]phenyl]carbazole;9-[4-carbazol-9-yl-6-[3-(20,30-diphenyl-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;methane;10,20,30-tri(dibenzothiophen-4-yl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaene (PubChem CID 167534521) has the molecular formula C208H127B9N8O9S3 and a molecular weight of 3075.86 g/mol. Its IUPAC name is 9-[2-[20,30-bis(2-carbazol-9-ylphenyl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl]phenyl]carbazole;9-[4-carbazol-9-yl-6-[3-(20,30-diphenyl-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;methane;10,20,30-tri(dibenzothiophen-4-yl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaene.

Molecular Properties

• Compound Name: 9-[2-[20,30-bis(2-carbazol-9-ylphenyl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl]phenyl]carbazole;9-[4-carbazol-9-yl-6-[3-(20,30-diphenyl-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;methane;10,20,30-tri(dibenzothiophen-4-yl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaene
• PubChem CID: 167534521
• Molecular Formula: C208H127B9N8O9S3
• Molecular Weight: 3075.86 g/mol
• Exact Mass: 3074.97
• IUPAC Name: 9-[2-[20,30-bis(2-carbazol-9-ylphenyl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl]phenyl]carbazole;9-[4-carbazol-9-yl-6-[3-(20,30-diphenyl-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;methane;10,20,30-tri(dibenzothiophen-4-yl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaene
• SMILES: C.c1ccc(B2c3ccccc3Oc3c2c2c(c4c3B(c3cccc(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)c3)c3ccccc3O4)B(c3ccccc3)c3ccccc3O2)cc1.c1ccc2c(c1)Oc1c(c3c(c4c1B(c1cccc5c1sc1ccccc15)c1ccccc1O4)B(c1cccc4c1sc1ccccc14)c1ccccc1O3)B2c1cccc2c1sc1ccccc12.c1ccc2c(c1)Oc1c(c3c(c4c1B(c1ccccc1-n1c5ccccc5c5ccccc51)c1ccccc1O4)B(c1ccccc1-n1c4ccccc4c4ccccc41)c1ccccc1O3)B2c1ccccc1-n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C78H48B3N3O3.C69H42B3N5O3.C60H33B3O3S3.CH4/c1-13-37-61-49(25-1)50-26-2-14-38-62(50)82(61)67-43-19-7-31-55(67)79-58-34-10-22-46-70(58)85-76-73(79)77-75(80(59-35-11-23-47-71(59)86-77)56-32-8-20-44-68(56)83-63-39-15-3-27-51(63)52-28-4-16-40-64(52)83)78-74(76)81(60-36-12-24-48-72(60)87-78)57-33-9-21-45-69(57)84-65-41-17-5-29-53(65)54-30-6-18-42-66(54)84;1-3-23-44(24-4-1)70-51-32-11-18-39-58(51)78-64-61-65(79-59-40-19-12-33-52(59)71(61)45-25-5-2-6-26-45)63-66(62(64)70)80-60-41-20-13-34-53(60)72(63)46-27-21-22-43(42-46)67-73-68(76-54-35-14-7-28-47(54)48-29-8-15-36-55(48)76)75-69(74-67)77-56-37-16-9-30-49(56)50-31-10-17-38-57(50)77;1-10-31-49-34(16-1)37-19-13-25-43(58(37)67-49)61-40-22-4-7-28-46(40)64-55-52(61)56-54(62(41-23-5-8-29-47(41)65-56)44-26-14-20-38-35-17-2-11-32-50(35)68-59(38)44)57-53(55)63(42-24-6-9-30-48(42)66-57)45-27-15-21-39-36-18-3-12-33-51(36)69-60(39)45;/h1-48H;1-42H;1-33H;1H4
• InChIKey: AJZUKMOENXYMHQ-UHFFFAOYSA-N
• XLogP: 33.73
• TPSA: 146.39 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3075.86
LogP ≤ 5	33.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[2-[20,30-bis(2-carbazol-9-ylphenyl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl]phenyl]carbazole;9-[4-carbazol-9-yl-6-[3-(20,30-diphenyl-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;methane;10,20,30-tri(dibenzothiophen-4-yl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaene?

The IUPAC name of 9-[2-[20,30-bis(2-carbazol-9-ylphenyl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl]phenyl]carbazole;9-[4-carbazol-9-yl-6-[3-(20,30-diphenyl-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;methane;10,20,30-tri(dibenzothiophen-4-yl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaene (CID 167534521) is 9-[2-[20,30-bis(2-carbazol-9-ylphenyl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl]phenyl]carbazole;9-[4-carbazol-9-yl-6-[3-(20,30-diphenyl-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;methane;10,20,30-tri(dibenzothiophen-4-yl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaene.

What is the SMILES notation for 9-[2-[20,30-bis(2-carbazol-9-ylphenyl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl]phenyl]carbazole;9-[4-carbazol-9-yl-6-[3-(20,30-diphenyl-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;methane;10,20,30-tri(dibenzothiophen-4-yl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaene?

The canonical SMILES for 9-[2-[20,30-bis(2-carbazol-9-ylphenyl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl]phenyl]carbazole;9-[4-carbazol-9-yl-6-[3-(20,30-diphenyl-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;methane;10,20,30-tri(dibenzothiophen-4-yl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaene is C.c1ccc(B2c3ccccc3Oc3c2c2c(c4c3B(c3cccc(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)c3)c3ccccc3O4)B(c3ccccc3)c3ccccc3O2)cc1.c1ccc2c(c1)Oc1c(c3c(c4c1B(c1cccc5c1sc1ccccc15)c1ccccc1O4)B(c1cccc4c1sc1ccccc14)c1ccccc1O3)B2c1cccc2c1sc1ccccc12.c1ccc2c(c1)Oc1c(c3c(c4c1B(c1ccccc1-n1c5ccccc5c5ccccc51)c1ccccc1O4)B(c1ccccc1-n1c4ccccc4c4ccccc41)c1ccccc1O3)B2c1ccccc1-n1c2ccccc2c2ccccc21.

What is the InChIKey of 9-[2-[20,30-bis(2-carbazol-9-ylphenyl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl]phenyl]carbazole;9-[4-carbazol-9-yl-6-[3-(20,30-diphenyl-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;methane;10,20,30-tri(dibenzothiophen-4-yl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaene?

The InChIKey is AJZUKMOENXYMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48B3N3O3.C69H42B3N5O3.C60H33B3O3S3.CH4/c1-13-37-61-49(25-1)50-26-2-14-38-62(50)82(61)67-43-19-7-31-55(67)79-58-34-10-22-46-70(58)85-76-73(79)77-75(80(59-35-11-23-47-71(59)86-77)56-32-8-20-44-68(56)83-63-39-15-3-27-51(63)52-28-4-16-40-64(52)83)78-74(76)81(60-36-12-24-48-72(60)87-78)57-33-9-21-45-69(57)84-65-41-17-5-29-53(65)54-30-6-18-42-66(54)84;1-3-23-44(24-4-1)70-51-32-11-18-39-58(51)78-64-61-65(79-59-40-19-12-33-52(59)71(61)45-25-5-2-6-26-45)63-66(62(64)70)80-60-41-20-13-34-53(60)72(63)46-27-21-22-43(42-46)67-73-68(76-54-35-14-7-28-47(54)48-29-8-15-36-55(48)76)75-69(74-67)77-56-37-16-9-30-49(56)50-31-10-17-38-57(50)77;1-10-31-49-34(16-1)37-19-13-25-43(58(37)67-49)61-40-22-4-7-28-46(40)64-55-52(61)56-54(62(41-23-5-8-29-47(41)65-56)44-26-14-20-38-35-17-2-11-32-50(35)68-59(38)44)57-53(55)63(42-24-6-9-30-48(42)66-57)45-27-15-21-39-36-18-3-12-33-51(36)69-60(39)45;/h1-48H;1-42H;1-33H;1H4.

What are the key properties of 9-[2-[20,30-bis(2-carbazol-9-ylphenyl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl]phenyl]carbazole;9-[4-carbazol-9-yl-6-[3-(20,30-diphenyl-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;methane;10,20,30-tri(dibenzothiophen-4-yl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaene?

9-[2-[20,30-bis(2-carbazol-9-ylphenyl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl]phenyl]carbazole;9-[4-carbazol-9-yl-6-[3-(20,30-diphenyl-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;methane;10,20,30-tri(dibenzothiophen-4-yl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaene has a molecular weight of 3075.86 g/mol, XLogP of 33.73, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[20,30-bis(2-carbazol-9-ylphenyl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl]phenyl]carbazole;9-[4-carbazol-9-yl-6-[3-(20,30-diphenyl-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaen-10-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;methane;10,20,30-tri(dibenzothiophen-4-yl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaene is sourced from PubChem (CID 167534521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).