C354H244N22O2S2 — CID 159338517
9-[4-(4-carbazol-9-ylphenoxy)phenyl]carbazole;9-[4-[2-(4-carbazol-9-ylphenyl)ethyl]phenyl]carbazole;9-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole;9-[4-[[4-(3,6-diphenylcarbazol-9-yl)phenyl]methyl]phenyl]-3,6-diphenylcarbazole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole;9-[4-[1,4,4-tris(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole (PubChem CID 159338517) has the molecular formula C354H244N22O2S2 and a molecular weight of 4902.13 g/mol. Its IUPAC name is 9-[4-(4-carbazol-9-ylphenoxy)phenyl]carbazole;9-[4-[2-(4-carbazol-9-ylphenyl)ethyl]phenyl]carbazole;9-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole;9-[4-[[4-(3,6-diphenylcarbazol-9-yl)phenyl]methyl]phenyl]-3,6-diphenylcarbazole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole;9-[4-[1,4,4-tris(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole.
| Compound Name | 9-[4-(4-carbazol-9-ylphenoxy)phenyl]carbazole;9-[4-[2-(4-carbazol-9-ylphenyl)ethyl]phenyl]carbazole;9-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole;9-[4-[[4-(3,6-diphenylcarbazol-9-yl)phenyl]methyl]phenyl]-3,6-diphenylcarbazole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole;9-[4-[1,4,4-tris(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole |
|---|---|
| PubChem CID | 159338517 |
| Molecular Formula | C354H244N22O2S2 |
| Molecular Weight | 4902.13 g/mol |
| Exact Mass | 4897.91 |
| IUPAC Name | 9-[4-(4-carbazol-9-ylphenoxy)phenyl]carbazole;9-[4-[2-(4-carbazol-9-ylphenyl)ethyl]phenyl]carbazole;9-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole;9-[4-[[4-(3,6-diphenylcarbazol-9-yl)phenyl]methyl]phenyl]-3,6-diphenylcarbazole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)sulfanylphenyl]pyrido[4,3-b]indole;9-[4-[1,4,4-tris(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole |
| SMILES | c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(Cc3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)CCC(c3ccc(-n4c5ccccc5c5ccccc54)cc3)(c3ccc(-n4c5ccccc5c5ccccc54)cc3)CC2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(CCc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(Oc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(Sc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc2c(c1)c1cnccc1n2-c1ccc(Oc2ccc(-n3c4ccccc4c4cnccc43)cc2)cc1.c1ccc2c(c1)c1cnccc1n2-c1ccc(Sc2ccc(-n3c4ccccc4c4cnccc43)cc2)cc1 |
| InChI | InChI=1S/C78H56N4.C61H42N2.C38H28N2.C37H26N2.C36H24N2O.C36H24N2S.C34H22N4O.C34H22N4S/c1-9-25-69-61(17-1)62-18-2-10-26-70(62)79(69)57-41-33-53(34-42-57)77(54-35-43-58(44-36-54)80-71-27-11-3-19-63(71)64-20-4-12-28-72(64)80)49-51-78(52-50-77,55-37-45-59(46-38-55)81-73-29-13-5-21-65(73)66-22-6-14-30-74(66)81)56-39-47-60(48-40-56)82-75-31-15-7-23-67(75)68-24-8-16-32-76(68)82;1-5-13-44(14-6-1)48-25-33-58-54(38-48)55-39-49(45-15-7-2-8-16-45)26-34-59(55)62(58)52-29-21-42(22-30-52)37-43-23-31-53(32-24-43)63-60-35-27-50(46-17-9-3-10-18-46)40-56(60)57-41-51(28-36-61(57)63)47-19-11-4-12-20-47;1-5-13-35-31(9-1)32-10-2-6-14-36(32)39(35)29-23-19-27(20-24-29)17-18-28-21-25-30(26-22-28)40-37-15-7-3-11-33(37)34-12-4-8-16-38(34)40;1-5-13-34-30(9-1)31-10-2-6-14-35(31)38(34)28-21-17-26(18-22-28)25-27-19-23-29(24-20-27)39-36-15-7-3-11-32(36)33-12-4-8-16-37(33)39;2*1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)25-17-21-27(22-18-25)39-28-23-19-26(20-24-28)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;2*1-3-7-31-27(5-1)29-21-35-19-17-33(29)37(31)23-9-13-25(14-10-23)39-26-15-11-24(12-16-26)38-32-8-4-2-6-28(32)30-22-36-20-18-34(30)38/h1-48H,49-52H2;1-36,38-41H,37H2;1-16,19-26H,17-18H2;1-24H,25H2;2*1-24H;2*1-22H |
| InChIKey | LFVPSAKLMUVAGY-UHFFFAOYSA-N |
| XLogP | 92.19 |
| TPSA | 158.76 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 380 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4902.13 |
| LogP ≤ 5 | 92.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |