8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[5-(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
C240H159B3N24 — CID 159543437
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[5-(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2cccc(-c3cccc(N4c5ccccc5B5c6ccccc6N(c6ccccc6)c6cccc4c65)c3)c2)n1.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2cccc(-c3cccc(N4c5ccccc5B5c6ccccc6N(c6ccccc6)c6cccc4c65)c3)c2)n1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(N7c8ccccc8B8c9ccccc9N(c9ccccc9)c9cccc7c98)c6)c5)n4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C81H55BN8.C80H53BN8.C79H51BN8/c1-52-40-43-70-63(46-52)64-47-53(2)41-44-71(64)90(70)72-45-42-59(69-51-68(54-22-7-3-8-23-54)83-78(84-69)55-24-9-4-10-25-55)50-65(72)81-86-79(56-26-11-5-12-27-56)85-80(87-81)60-30-19-28-57(48-60)58-29-20-33-62(49-58)89-74-37-18-16-35-67(74)82-66-34-15-17-36-73(66)88(61-31-13-6-14-32-61)75-38-21-39-76(89)77(75)82;1-52-43-45-70-63(47-52)62-35-14-17-38-69(62)89(70)71-46-44-58(68-51-67(53-23-6-2-7-24-53)82-77(83-68)54-25-8-3-9-26-54)50-64(71)80-85-78(55-27-10-4-11-28-55)84-79(86-80)59-31-20-29-56(48-59)57-30-21-34-61(49-57)88-73-40-19-16-37-66(73)81-65-36-15-18-39-72(65)87(60-32-12-5-13-33-60)74-41-22-42-75(88)76(74)81;1-5-24-52(25-6-1)66-51-67(82-76(81-66)53-26-7-2-8-27-53)57-46-47-70(88-68-40-17-13-36-61(68)62-37-14-18-41-69(62)88)63(50-57)79-84-77(54-28-9-3-10-29-54)83-78(85-79)58-32-21-30-55(48-58)56-31-22-35-60(49-56)87-72-43-20-16-39-65(72)80-64-38-15-19-42-71(64)86(59-33-11-4-12-34-59)73-44-23-45-74(87)75(73)80/h3-51H,1-2H3;2-51H,1H3;1-51H
InChIKeyMEMRPWLHZZLCCR-UHFFFAOYSA-N
MW3411.52 g/mol
LogP53.46
Rot. Bonds30
About 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[5-(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[5-(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 159543437) has the molecular formula C240H159B3N24 and a molecular weight of 3411.52 g/mol. Its IUPAC name is 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[5-(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.
Molecular Properties
| Compound Name | 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[5-(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene |
|---|---|
| PubChem CID | 159543437 |
| Molecular Formula | C240H159B3N24 |
| Molecular Weight | 3411.52 g/mol |
| Exact Mass | 3409.35 |
| IUPAC Name | 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[5-(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene |
| SMILES | Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2cccc(-c3cccc(N4c5ccccc5B5c6ccccc6N(c6ccccc6)c6cccc4c65)c3)c2)n1.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2cccc(-c3cccc(N4c5ccccc5B5c6ccccc6N(c6ccccc6)c6cccc4c65)c3)c2)n1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(N7c8ccccc8B8c9ccccc9N(c9ccccc9)c9cccc7c98)c6)c5)n4)c3)nc(-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/C81H55BN8.C80H53BN8.C79H51BN8/c1-52-40-43-70-63(46-52)64-47-53(2)41-44-71(64)90(70)72-45-42-59(69-51-68(54-22-7-3-8-23-54)83-78(84-69)55-24-9-4-10-25-55)50-65(72)81-86-79(56-26-11-5-12-27-56)85-80(87-81)60-30-19-28-57(48-60)58-29-20-33-62(49-58)89-74-37-18-16-35-67(74)82-66-34-15-17-36-73(66)88(61-31-13-6-14-32-61)75-38-21-39-76(89)77(75)82;1-52-43-45-70-63(47-52)62-35-14-17-38-69(62)89(70)71-46-44-58(68-51-67(53-23-6-2-7-24-53)82-77(83-68)54-25-8-3-9-26-54)50-64(71)80-85-78(55-27-10-4-11-28-55)84-79(86-80)59-31-20-29-56(48-59)57-30-21-34-61(49-57)88-73-40-19-16-37-66(73)81-65-36-15-18-39-72(65)87(60-32-12-5-13-33-60)74-41-22-42-75(88)76(74)81;1-5-24-52(25-6-1)66-51-67(82-76(81-66)53-26-7-2-8-27-53)57-46-47-70(88-68-40-17-13-36-61(68)62-37-14-18-41-69(62)88)63(50-57)79-84-77(54-28-9-3-10-29-54)83-78(85-79)58-32-21-30-55(48-58)56-31-22-35-60(49-56)87-72-43-20-16-39-65(72)80-64-38-15-19-42-71(64)86(59-33-11-4-12-34-59)73-44-23-45-74(87)75(73)80/h3-51H,1-2H3;2-51H,1H3;1-51H |
| InChIKey | MEMRPWLHZZLCCR-UHFFFAOYSA-N |
| XLogP | 53.46 |
| TPSA | 227.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 267 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3411.52 |
| LogP ≤ 5 | 53.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[5-(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[5-(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 159543437) is 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[5-(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[5-(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[5-(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2cccc(-c3cccc(N4c5ccccc5B5c6ccccc6N(c6ccccc6)c6cccc4c65)c3)c2)n1.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2cccc(-c3cccc(N4c5ccccc5B5c6ccccc6N(c6ccccc6)c6cccc4c65)c3)c2)n1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(N7c8ccccc8B8c9ccccc9N(c9ccccc9)c9cccc7c98)c6)c5)n4)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[5-(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The InChIKey is MEMRPWLHZZLCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H55BN8.C80H53BN8.C79H51BN8/c1-52-40-43-70-63(46-52)64-47-53(2)41-44-71(64)90(70)72-45-42-59(69-51-68(54-22-7-3-8-23-54)83-78(84-69)55-24-9-4-10-25-55)50-65(72)81-86-79(56-26-11-5-12-27-56)85-80(87-81)60-30-19-28-57(48-60)58-29-20-33-62(49-58)89-74-37-18-16-35-67(74)82-66-34-15-17-36-73(66)88(61-31-13-6-14-32-61)75-38-21-39-76(89)77(75)82;1-52-43-45-70-63(47-52)62-35-14-17-38-69(62)89(70)71-46-44-58(68-51-67(53-23-6-2-7-24-53)82-77(83-68)54-25-8-3-9-26-54)50-64(71)80-85-78(55-27-10-4-11-28-55)84-79(86-80)59-31-20-29-56(48-59)57-30-21-34-61(49-57)88-73-40-19-16-37-66(73)81-65-36-15-18-39-72(65)87(60-32-12-5-13-33-60)74-41-22-42-75(88)76(74)81;1-5-24-52(25-6-1)66-51-67(82-76(81-66)53-26-7-2-8-27-53)57-46-47-70(88-68-40-17-13-36-61(68)62-37-14-18-41-69(62)88)63(50-57)79-84-77(54-28-9-3-10-29-54)83-78(85-79)58-32-21-30-55(48-58)56-31-22-35-60(49-56)87-72-43-20-16-39-65(72)80-64-38-15-19-42-71(64)86(59-33-11-4-12-34-59)73-44-23-45-74(87)75(73)80/h3-51H,1-2H3;2-51H,1H3;1-51H.
What are the key properties of 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[5-(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[5-(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 3411.52 g/mol, XLogP of 53.46, 30 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[3-[4-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-[3-[3-[4-[5-(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 159543437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159543437 — identifiers, structure, computed properties (public domain)
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