C304H190N18 — CID 158813694
6-[3-[3-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[3-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[3-(6-carbazol-9-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 158813694) has the molecular formula C304H190N18 and a molecular weight of 4094.99 g/mol. Its IUPAC name is 6-[3-[3-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[3-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[3-(6-carbazol-9-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine.
| Compound Name | 6-[3-[3-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[3-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[3-(6-carbazol-9-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine |
|---|---|
| PubChem CID | 158813694 |
| Molecular Formula | C304H190N18 |
| Molecular Weight | 4094.99 g/mol |
| Exact Mass | 4091.54 |
| IUPAC Name | 6-[3-[3-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[3-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[3-(6-carbazol-9-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;6-[3-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine |
| SMILES | c1cc(-c2ccc(-c3cccc4c(-n5c6ccccc6c6ccccc65)cccc34)cc2)cc(-c2ccc3c4ccccc4c4nccnc4c3c2)c1.c1cc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)c2)cc(-c2ccc3c4ccccc4c4nccnc4c3c2)c1.c1cc(-c2cccc(-c3ccc4c5ccccc5c5nccnc5c4c3)c2)cc(-c2ccc3cc(-n4c5ccccc5c5ccccc54)ccc3c2)c1.c1cc(-c2cccc(-c3cccc4c(-n5c6ccccc6c6ccccc65)cccc34)c2)cc(-c2ccc3c4ccccc4c4nccnc4c3c2)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cccc(-c6cccc(-c7cnc8c9ccccc9c9ccccc9c8n7)c6)c5)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6cccc(-c7cnc8c9ccccc9c9ccccc9c8n7)c6)c5)c4)ccc32)cc1 |
| InChI | InChI=1S/2C52H33N3.4C50H31N3/c1-2-19-41(20-3-1)55-49-26-9-8-23-44(49)47-32-39(27-28-50(47)55)37-16-11-14-35(30-37)34-13-10-15-36(29-34)38-17-12-18-40(31-38)48-33-53-51-45-24-6-4-21-42(45)43-22-5-7-25-46(43)52(51)54-48;1-2-16-41(17-3-1)55-49-23-9-8-20-44(49)47-32-39(28-29-50(47)55)35-26-24-34(25-27-35)36-12-10-13-37(30-36)38-14-11-15-40(31-38)48-33-53-51-45-21-6-4-18-42(45)43-19-5-7-22-46(43)52(51)54-48;1-3-17-41-38(15-1)37(25-26-48(41)53-46-21-7-5-18-42(46)43-19-6-8-22-47(43)53)36-14-10-13-34(30-36)32-11-9-12-33(29-32)35-23-24-40-39-16-2-4-20-44(39)49-50(45(40)31-35)52-28-27-51-49;1-2-18-44-39(15-1)40-26-25-35(31-45(40)50-49(44)51-27-28-52-50)33-12-7-11-32(29-33)34-13-8-14-36(30-34)37-19-9-21-41-38(37)20-10-24-48(41)53-46-22-5-3-16-42(46)43-17-4-6-23-47(43)53;1-2-15-44-39(12-1)40-27-26-36(31-45(40)50-49(44)51-28-29-52-50)35-11-7-10-34(30-35)32-22-24-33(25-23-32)37-16-8-18-41-38(37)17-9-21-48(41)53-46-19-5-3-13-42(46)43-14-4-6-20-47(43)53;1-2-16-45-41(13-1)42-24-22-39(31-46(42)50-49(45)51-25-26-52-50)35-12-8-10-33(28-35)32-9-7-11-34(27-32)36-19-20-38-30-40(23-21-37(38)29-36)53-47-17-5-3-14-43(47)44-15-4-6-18-48(44)53/h2*1-33H;4*1-31H |
| InChIKey | IUZRJQVYXJLUDZ-UHFFFAOYSA-N |
| XLogP | 80.15 |
| TPSA | 184.26 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 322 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4094.99 |
| LogP ≤ 5 | 80.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |