C336H252N30O4 — CID 159718199
10,13-bis(3,6-ditert-butylcarbazol-9-yl)phenanthro[9,10-b]quinoxaline;10,13-bis(3,6-dimethoxycarbazol-9-yl)phenanthro[9,10-b]quinoxaline;10-[9-[8-[3,6-bis(9,9-dimethylacridin-10-yl)carbazol-9-yl]quinoxalin-5-yl]-6-(9,9-dimethylacridin-10-yl)carbazol-3-yl]-9,9-dimethylacridine;N,N-diphenyl-9-[10-[3-(N-phenylanilino)carbazol-9-yl]phenanthro[9,10-b]quinoxalin-13-yl]carbazol-3-amine;5-phenyl-10-[9-[8-[3-(10-phenylphenazin-5-yl)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-yl]phenazine (PubChem CID 159718199) has the molecular formula C336H252N30O4 and a molecular weight of 4773.92 g/mol. Its IUPAC name is 10,13-bis(3,6-ditert-butylcarbazol-9-yl)phenanthro[9,10-b]quinoxaline;10,13-bis(3,6-dimethoxycarbazol-9-yl)phenanthro[9,10-b]quinoxaline;10-[9-[8-[3,6-bis(9,9-dimethylacridin-10-yl)carbazol-9-yl]quinoxalin-5-yl]-6-(9,9-dimethylacridin-10-yl)carbazol-3-yl]-9,9-dimethylacridine;N,N-diphenyl-9-[10-[3-(N-phenylanilino)carbazol-9-yl]phenanthro[9,10-b]quinoxalin-13-yl]carbazol-3-amine;5-phenyl-10-[9-[8-[3-(10-phenylphenazin-5-yl)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-yl]phenazine.
| Compound Name | 10,13-bis(3,6-ditert-butylcarbazol-9-yl)phenanthro[9,10-b]quinoxaline;10,13-bis(3,6-dimethoxycarbazol-9-yl)phenanthro[9,10-b]quinoxaline;10-[9-[8-[3,6-bis(9,9-dimethylacridin-10-yl)carbazol-9-yl]quinoxalin-5-yl]-6-(9,9-dimethylacridin-10-yl)carbazol-3-yl]-9,9-dimethylacridine;N,N-diphenyl-9-[10-[3-(N-phenylanilino)carbazol-9-yl]phenanthro[9,10-b]quinoxalin-13-yl]carbazol-3-amine;5-phenyl-10-[9-[8-[3-(10-phenylphenazin-5-yl)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-yl]phenazine |
|---|---|
| PubChem CID | 159718199 |
| Molecular Formula | C336H252N30O4 |
| Molecular Weight | 4773.92 g/mol |
| Exact Mass | 4770.04 |
| IUPAC Name | 10,13-bis(3,6-ditert-butylcarbazol-9-yl)phenanthro[9,10-b]quinoxaline;10,13-bis(3,6-dimethoxycarbazol-9-yl)phenanthro[9,10-b]quinoxaline;10-[9-[8-[3,6-bis(9,9-dimethylacridin-10-yl)carbazol-9-yl]quinoxalin-5-yl]-6-(9,9-dimethylacridin-10-yl)carbazol-3-yl]-9,9-dimethylacridine;N,N-diphenyl-9-[10-[3-(N-phenylanilino)carbazol-9-yl]phenanthro[9,10-b]quinoxalin-13-yl]carbazol-3-amine;5-phenyl-10-[9-[8-[3-(10-phenylphenazin-5-yl)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-yl]phenazine |
| SMILES | CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c2nc3c4ccccc4c4ccccc4c3nc12.CC1(C)c2ccccc2N(c2ccc3c(c2)c2cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc2n3-c2ccc(-n3c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc43)c3nccnc23)c2ccccc21.COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-n2c3ccc(OC)cc3c3cc(OC)ccc32)c2nc3c4ccccc4c4ccccc4c3nc12.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c3nc4c5ccccc5c5ccccc5c4nc23)cc1.c1ccc(N2c3ccccc3N(c3ccc4c(c3)c3ccccc3n4-c3ccc(-n4c5ccccc5c5cc(N6c7ccccc7N(c7ccccc7)c7ccccc76)ccc54)c4nccnc34)c3ccccc32)cc1 |
| InChI | InChI=1S/C92H72N8.C68H44N8.C68H44N6.C60H58N4.C48H34N4O4/c1-89(2)65-25-9-17-33-77(65)95(78-34-18-10-26-66(78)89)57-41-45-73-61(53-57)62-54-58(96-79-35-19-11-27-67(79)90(3,4)68-28-12-20-36-80(68)96)42-46-74(62)99(73)85-49-50-86(88-87(85)93-51-52-94-88)100-75-47-43-59(97-81-37-21-13-29-69(81)91(5,6)70-30-14-22-38-82(70)97)55-63(75)64-56-60(44-48-76(64)100)98-83-39-23-15-31-71(83)92(7,8)72-32-16-24-40-84(72)98;1-3-19-45(20-4-1)71-57-27-11-15-31-61(57)73(62-32-16-12-28-58(62)71)47-35-37-55-51(43-47)49-23-7-9-25-53(49)75(55)65-39-40-66(68-67(65)69-41-42-70-68)76-54-26-10-8-24-50(54)52-44-48(36-38-56(52)76)74-63-33-17-13-29-59(63)72(46-21-5-2-6-22-46)60-30-14-18-34-64(60)74;1-5-21-45(22-6-1)71(46-23-7-2-8-24-46)49-37-39-61-57(43-49)53-31-17-19-35-59(53)73(61)63-41-42-64(68-67(63)69-65-55-33-15-13-29-51(55)52-30-14-16-34-56(52)66(65)70-68)74-60-36-20-18-32-54(60)58-44-50(38-40-62(58)74)72(47-25-9-3-10-26-47)48-27-11-4-12-28-48;1-57(2,3)35-21-25-47-43(31-35)44-32-36(58(4,5)6)22-26-48(44)63(47)51-29-30-52(56-55(51)61-53-41-19-15-13-17-39(41)40-18-14-16-20-42(40)54(53)62-56)64-49-27-23-37(59(7,8)9)33-45(49)46-34-38(60(10,11)12)24-28-50(46)64;1-53-27-13-17-39-35(23-27)36-24-28(54-2)14-18-40(36)51(39)43-21-22-44(52-41-19-15-29(55-3)25-37(41)38-26-30(56-4)16-20-42(38)52)48-47(43)49-45-33-11-7-5-9-31(33)32-10-6-8-12-34(32)46(45)50-48/h9-56H,1-8H3;1-44H;1-44H;13-34H,1-12H3;5-26H,1-4H3 |
| InChIKey | MZRSUHHISQYCHU-UHFFFAOYSA-N |
| XLogP | 88.61 |
| TPSA | 247.52 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 370 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4773.92 |
| LogP ≤ 5 | 88.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 34 |