C232H148N6 — CID 161091193
3,6-dinaphthalen-1-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;3,6-dinaphthalen-2-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole (PubChem CID 161091193) has the molecular formula C232H148N6 and a molecular weight of 3019.78 g/mol. Its IUPAC name is 3,6-dinaphthalen-1-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;3,6-dinaphthalen-2-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole.
| Compound Name | 3,6-dinaphthalen-1-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;3,6-dinaphthalen-2-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole |
|---|---|
| PubChem CID | 161091193 |
| Molecular Formula | C232H148N6 |
| Molecular Weight | 3019.78 g/mol |
| Exact Mass | 3017.18 |
| IUPAC Name | 3,6-dinaphthalen-1-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;3,6-dinaphthalen-2-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole |
| SMILES | c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(-n7c8ccc(-c9ccc%10ccccc%10c9)cc8c8cc(-c9ccc%10ccccc%10c9)ccc87)cc6)ccc54)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(-n7c8ccc(-c9cccc%10ccccc9%10)cc8c8cc(-c9cccc%10ccccc9%10)ccc87)cc6)ccc54)cc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccc4)ccc2n3-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2)cc1 |
| InChI | InChI=1S/C80H52N2.2C76H48N2/c1-4-20-54(21-5-1)63-26-10-12-28-65(63)59-41-48-77-73(51-59)74-52-60(66-29-13-11-27-64(66)55-22-6-2-7-23-55)42-49-78(74)82(77)61-43-36-53(37-44-61)58-40-47-76-72(50-58)67-30-18-19-35-75(67)81(76)62-45-38-57(39-46-62)80-70-33-16-14-31-68(70)79(56-24-8-3-9-25-56)69-32-15-17-34-71(69)80;1-2-18-52(19-3-1)75-64-25-8-10-27-66(64)76(67-28-11-9-26-65(67)75)53-34-41-58(42-35-53)77-71-31-13-12-24-63(71)68-46-54(36-43-72(68)77)49-32-39-57(40-33-49)78-73-44-37-55(61-29-14-20-50-16-4-6-22-59(50)61)47-69(73)70-48-56(38-45-74(70)78)62-30-15-21-51-17-5-7-23-60(51)62;1-2-16-52(17-3-1)75-64-21-8-10-23-66(64)76(67-24-11-9-22-65(67)75)53-32-39-62(40-33-53)77-71-25-13-12-20-63(71)68-46-58(34-41-72(68)77)51-30-37-61(38-31-51)78-73-42-35-59(56-28-26-49-14-4-6-18-54(49)44-56)47-69(73)70-48-60(36-43-74(70)78)57-29-27-50-15-5-7-19-55(50)45-57/h1-52H;2*1-48H |
| InChIKey | UHEUSHLTGHMPJO-UHFFFAOYSA-N |
| XLogP | 63.51 |
| TPSA | 29.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 238 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3019.78 |
| LogP ≤ 5 | 63.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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