C336H226N18 — CID 157226450
3-(3-carbazol-9-ylphenyl)-7,10-bis(4-phenylphenyl)phenanthro[9,10-b]pyrazine;3-(3-carbazol-9-ylphenyl)-7,10-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(3-carbazol-9-ylphenyl)-7,10-bis(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine;3-(3-carbazol-9-ylphenyl)-7,10-dinaphthalen-1-ylphenanthro[9,10-b]pyrazine;3-(3-carbazol-9-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine;7,10-ditert-butyl-3-(3-carbazol-9-ylphenyl)phenanthro[9,10-b]pyrazine (PubChem CID 157226450) has the molecular formula C336H226N18 and a molecular weight of 4515.63 g/mol. Its IUPAC name is 3-(3-carbazol-9-ylphenyl)-7,10-bis(4-phenylphenyl)phenanthro[9,10-b]pyrazine;3-(3-carbazol-9-ylphenyl)-7,10-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(3-carbazol-9-ylphenyl)-7,10-bis(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine;3-(3-carbazol-9-ylphenyl)-7,10-dinaphthalen-1-ylphenanthro[9,10-b]pyrazine;3-(3-carbazol-9-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine;7,10-ditert-butyl-3-(3-carbazol-9-ylphenyl)phenanthro[9,10-b]pyrazine.
| Compound Name | 3-(3-carbazol-9-ylphenyl)-7,10-bis(4-phenylphenyl)phenanthro[9,10-b]pyrazine;3-(3-carbazol-9-ylphenyl)-7,10-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(3-carbazol-9-ylphenyl)-7,10-bis(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine;3-(3-carbazol-9-ylphenyl)-7,10-dinaphthalen-1-ylphenanthro[9,10-b]pyrazine;3-(3-carbazol-9-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine;7,10-ditert-butyl-3-(3-carbazol-9-ylphenyl)phenanthro[9,10-b]pyrazine |
|---|---|
| PubChem CID | 157226450 |
| Molecular Formula | C336H226N18 |
| Molecular Weight | 4515.63 g/mol |
| Exact Mass | 4511.82 |
| IUPAC Name | 3-(3-carbazol-9-ylphenyl)-7,10-bis(4-phenylphenyl)phenanthro[9,10-b]pyrazine;3-(3-carbazol-9-ylphenyl)-7,10-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(3-carbazol-9-ylphenyl)-7,10-bis(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine;3-(3-carbazol-9-ylphenyl)-7,10-dinaphthalen-1-ylphenanthro[9,10-b]pyrazine;3-(3-carbazol-9-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine;7,10-ditert-butyl-3-(3-carbazol-9-ylphenyl)phenanthro[9,10-b]pyrazine |
| SMILES | CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1c1nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cnc21.Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2c2nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cnc32)c(C)c1.c1cc(-c2cnc3c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc4c3n2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2cnc3c4ccc(-c5cccc6ccccc56)cc4c4cc(-c5cccc6ccccc56)ccc4c3n2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3c3nc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cnc43)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cnc32)cc1 |
| InChI | InChI=1S/C84H49N3.C58H37N3.C54H33N3.C52H41N3.C46H29N3.C42H37N3/c1-9-28-70-56(20-1)57-21-2-10-29-71(57)83(70)74-32-13-5-24-60(74)62-40-36-52(47-76(62)83)50-38-42-66-68(45-50)69-46-51(53-37-41-63-61-25-6-14-33-75(61)84(77(63)48-53)72-30-11-3-22-58(72)59-23-4-12-31-73(59)84)39-43-67(69)82-81(66)85-49-78(86-82)54-18-17-19-55(44-54)87-79-34-15-7-26-64(79)65-27-8-16-35-80(65)87;1-3-12-38(13-4-1)40-22-26-42(27-23-40)44-30-32-50-52(35-44)53-36-45(43-28-24-41(25-29-43)39-14-5-2-6-15-39)31-33-51(53)58-57(50)59-37-54(60-58)46-16-11-17-47(34-46)61-55-20-9-7-18-48(55)49-19-8-10-21-56(49)61;1-3-18-40-34(12-1)14-10-22-42(40)36-26-28-46-48(31-36)49-32-37(43-23-11-15-35-13-2-4-19-41(35)43)27-29-47(49)54-53(46)55-33-50(56-54)38-16-9-17-39(30-38)57-51-24-7-5-20-44(51)45-21-6-8-25-52(45)57;1-30-22-32(3)49(33(4)23-30)37-18-20-42-44(27-37)45-28-38(50-34(5)24-31(2)25-35(50)6)19-21-43(45)52-51(42)53-29-46(54-52)36-12-11-13-39(26-36)55-47-16-9-7-14-40(47)41-15-8-10-17-48(41)55;1-3-12-30(13-4-1)32-22-24-38-40(27-32)41-28-33(31-14-5-2-6-15-31)23-25-39(41)46-45(38)47-29-42(48-46)34-16-11-17-35(26-34)49-43-20-9-7-18-36(43)37-19-8-10-21-44(37)49;1-41(2,3)27-18-20-32-34(23-27)35-24-28(42(4,5)6)19-21-33(35)40-39(32)43-25-36(44-40)26-12-11-13-29(22-26)45-37-16-9-7-14-30(37)31-15-8-10-17-38(31)45/h1-49H;1-37H;1-33H;7-29H,1-6H3;1-29H;7-25H,1-6H3 |
| InChIKey | ATOZGXLDZDTBEL-UHFFFAOYSA-N |
| XLogP | 87.64 |
| TPSA | 184.26 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 354 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4515.63 |
| LogP ≤ 5 | 87.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |