C228H190N8Si7 — CID 163847646
11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane (PubChem CID 163847646) has the molecular formula C228H190N8Si7 and a molecular weight of 3238.69 g/mol. Its IUPAC name is 11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane.
| Compound Name | 11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane |
|---|---|
| PubChem CID | 163847646 |
| Molecular Formula | C228H190N8Si7 |
| Molecular Weight | 3238.69 g/mol |
| Exact Mass | 3235.35 |
| IUPAC Name | 11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane |
| SMILES | CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc2c3c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1N3c1ccccc1[Si]2(c1ccccc1)c1ccccc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1cc2c3c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1N3c1ccccc1[Si]2(c1ccccc1)c1ccccc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c4ccccc4n(-c4cc5c6c(c4)[Si](c4ccccc4)(c4ccccc4)c4ccccc4N6c4ccccc4[Si]5(c4ccccc4)c4ccccc4)c3c2)cc1 |
| InChI | InChI=1S/C94H84N4Si2.C72H52N2Si3.C62H54N2Si2/c1-91(2,3)61-41-47-78-72(53-61)73-54-62(92(4,5)6)42-48-79(73)95(78)65-45-51-82-76(57-65)77-58-66(96-80-49-43-63(93(7,8)9)55-74(80)75-56-64(94(10,11)12)44-50-81(75)96)46-52-83(77)97(82)67-59-88-90-89(60-67)100(70-33-21-15-22-34-70,71-35-23-16-24-36-71)87-40-28-26-38-85(87)98(90)84-37-25-27-39-86(84)99(88,68-29-17-13-18-30-68)69-31-19-14-20-32-69;1-8-28-54(29-9-1)75(55-30-10-2-11-31-55,56-32-12-3-13-33-56)61-48-49-63-62-42-22-23-43-64(62)73(67(63)52-61)53-50-70-72-71(51-53)77(59-38-18-6-19-39-59,60-40-20-7-21-41-60)69-47-27-25-45-66(69)74(72)65-44-24-26-46-68(65)76(70,57-34-14-4-15-35-57)58-36-16-5-17-37-58;1-61(2,3)43-35-37-52-50(39-43)51-40-44(62(4,5)6)36-38-53(51)63(52)45-41-58-60-59(42-45)66(48-27-15-9-16-28-48,49-29-17-10-18-30-49)57-34-22-20-32-55(57)64(60)54-31-19-21-33-56(54)65(58,46-23-11-7-12-24-46)47-25-13-8-14-26-47/h13-60H,1-12H3;1-52H;7-42H,1-6H3 |
| InChIKey | OROFUGRSCKAPMP-UHFFFAOYSA-N |
| XLogP | 38.26 |
| TPSA | 34.37 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 243 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3238.69 |
| LogP ≤ 5 | 38.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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