C181H123N7Si2 — CID 163423983
3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[4-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane (PubChem CID 163423983) has the molecular formula C181H123N7Si2 and a molecular weight of 2452.20 g/mol. Its IUPAC name is 3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[4-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane.
| Compound Name | 3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[4-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane |
|---|---|
| PubChem CID | 163423983 |
| Molecular Formula | C181H123N7Si2 |
| Molecular Weight | 2452.20 g/mol |
| Exact Mass | 2449.94 |
| IUPAC Name | 3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[4-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane |
| SMILES | N#Cc1cccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)c2)c1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc6)c5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)c5)ccc43)c2)cc1 |
| InChI | InChI=1S/2C66H46N2Si.C49H31N3/c1-5-20-47(21-6-1)48-22-17-25-53(42-48)67-63-36-15-13-34-59(63)61-45-51(38-40-65(61)67)52-39-41-66-62(46-52)60-35-14-16-37-64(60)68(66)54-26-18-23-49(43-54)50-24-19-33-58(44-50)69(55-27-7-2-8-28-55,56-29-9-3-10-30-56)57-31-11-4-12-32-57;1-5-19-47(20-6-1)49-21-17-23-53(43-49)67-63-33-15-13-31-59(63)61-45-51(37-41-65(61)67)52-38-42-66-62(46-52)60-32-14-16-34-64(60)68(66)54-24-18-22-50(44-54)48-35-39-58(40-36-48)69(55-25-7-2-8-26-55,56-27-9-3-10-28-56)57-29-11-4-12-30-57;50-32-33-11-8-14-35(27-33)37-16-10-18-41(29-37)52-47-22-7-5-20-43(47)45-31-39(24-26-49(45)52)38-23-25-48-44(30-38)42-19-4-6-21-46(42)51(48)40-17-9-15-36(28-40)34-12-2-1-3-13-34/h2*1-46H;1-31H |
| InChIKey | AKWYXZUVHGAFRX-UHFFFAOYSA-N |
| XLogP | 41.27 |
| TPSA | 53.37 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 190 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2452.20 |
| LogP ≤ 5 | 41.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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