C230H154N10Si2 — CID 160964825
3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]benzonitrile;4-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]benzonitrile;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]phenyl]silane;triphenyl-[4-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]phenyl]silane (PubChem CID 160964825) has the molecular formula C230H154N10Si2 and a molecular weight of 3114.00 g/mol. Its IUPAC name is 3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]benzonitrile;4-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]benzonitrile;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]phenyl]silane;triphenyl-[4-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]phenyl]silane.
| Compound Name | 3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]benzonitrile;4-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]benzonitrile;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]phenyl]silane;triphenyl-[4-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]phenyl]silane |
|---|---|
| PubChem CID | 160964825 |
| Molecular Formula | C230H154N10Si2 |
| Molecular Weight | 3114.00 g/mol |
| Exact Mass | 3111.19 |
| IUPAC Name | 3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]benzonitrile;4-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]benzonitrile;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]phenyl]silane;triphenyl-[4-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]phenyl]silane |
| SMILES | N#Cc1ccc(-c2cccc(-c3ccc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5n(-c5ccccc5)c4c3)c2)cc1.N#Cc1cccc(-c2cccc(-c3ccc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5n(-c5ccccc5)c4c3)c2)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc(-c6cccc(-c7ccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)cc7)c6)cc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc(-c6cccc(-c7cccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)c7)c6)cc4n5-c4ccccc4)ccc32)cc1 |
| InChI | InChI=1S/2C66H46N2Si.2C49H31N3/c1-6-23-53(24-7-1)67-63-35-17-16-34-59(63)61-44-50(37-40-64(61)67)51-38-41-65-62(45-51)60-39-36-52(46-66(60)68(65)54-25-8-2-9-26-54)48-21-18-20-47(42-48)49-22-19-33-58(43-49)69(55-27-10-3-11-28-55,56-29-12-4-13-30-56)57-31-14-5-15-32-57;1-6-21-53(22-7-1)67-63-32-17-16-31-59(63)61-44-50(36-41-64(61)67)51-37-42-65-62(45-51)60-40-35-52(46-66(60)68(65)54-23-8-2-9-24-54)49-20-18-19-48(43-49)47-33-38-58(39-34-47)69(55-25-10-3-11-26-55,56-27-12-4-13-28-56)57-29-14-5-15-30-57;50-32-33-11-9-12-34(27-33)35-13-10-14-36(28-35)39-21-24-43-45-30-38(23-26-48(45)52(49(43)31-39)41-17-5-2-6-18-41)37-22-25-47-44(29-37)42-19-7-8-20-46(42)51(47)40-15-3-1-4-16-40;50-32-33-18-20-34(21-19-33)35-10-9-11-36(28-35)39-22-25-43-45-30-38(24-27-48(45)52(49(43)31-39)41-14-5-2-6-15-41)37-23-26-47-44(29-37)42-16-7-8-17-46(42)51(47)40-12-3-1-4-13-40/h2*1-46H;2*1-31H |
| InChIKey | SXMCXTSYQRKJMG-UHFFFAOYSA-N |
| XLogP | 54.03 |
| TPSA | 87.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 242 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3114.00 |
| LogP ≤ 5 | 54.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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