C300H204N24+2 — CID 157159639
9-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[6-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole (PubChem CID 157159639) has the molecular formula C300H204N24+2 and a molecular weight of 4145.10 g/mol. Its IUPAC name is 9-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[6-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole.
| Compound Name | 9-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[6-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 157159639 |
| Molecular Formula | C300H204N24+2 |
| Molecular Weight | 4145.10 g/mol |
| Exact Mass | 4141.67 |
| IUPAC Name | 9-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[4-(2,5-diphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[6-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[4-(2,4,5-triphenyl-4H-imidazol-1-ium-1-yl)phenyl]carbazole |
| SMILES | c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cn2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cn2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc(C2=NC(c3ccccc3)C(c3ccccc3)=[N+]2c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(C2=NCC(c3ccccc3)=[N+]2c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1 |
| InChI | InChI=1S/C46H30N4.2C46H31N3.2C45H30N4.C39H28N3.C33H24N3/c1-2-12-33(13-3-1)46-47-40(31-22-26-34(27-23-31)49-42-18-8-4-14-36(42)37-15-5-9-19-43(37)49)30-41(48-46)32-24-28-35(29-25-32)50-44-20-10-6-16-38(44)39-17-7-11-21-45(39)50;1-5-14-32(15-6-1)36-24-26-44-39(28-36)40-29-37(33-16-7-2-8-17-33)25-27-45(40)49(44)46-23-13-22-41(48-46)38-30-42(34-18-9-3-10-19-34)47-43(31-38)35-20-11-4-12-21-35;1-5-13-32(14-6-1)36-21-24-44-40(27-36)41-28-37(33-15-7-2-8-16-33)22-25-45(41)49(44)46-26-23-38(31-47-46)39-29-42(34-17-9-3-10-18-34)48-43(30-39)35-19-11-4-12-20-35;1-5-14-31(15-6-1)35-24-26-42-37(28-35)38-29-36(32-16-7-2-8-17-32)25-27-43(38)49(42)44-23-13-22-39(46-44)41-30-40(33-18-9-3-10-19-33)47-45(48-41)34-20-11-4-12-21-34;1-5-13-31(14-6-1)35-21-24-42-38(27-35)39-28-36(32-15-7-2-8-16-32)22-25-43(39)49(42)44-26-23-37(30-46-44)41-29-40(33-17-9-3-10-18-33)47-45(48-41)34-19-11-4-12-20-34;1-4-14-28(15-5-1)37-38(29-16-6-2-7-17-29)42(39(40-37)30-18-8-3-9-19-30)32-26-24-31(25-27-32)41-35-22-12-10-20-33(35)34-21-11-13-23-36(34)41;1-3-11-24(12-4-1)32-23-34-33(25-13-5-2-6-14-25)36(32)27-21-19-26(20-22-27)35-30-17-9-7-15-28(30)29-16-8-10-18-31(29)35/h1-30H;2*1-31H;2*1-30H;1-27,37H;1-22H,23H2/q;;;;;2*+1 |
| InChIKey | XJKHARHVGFNVDK-UHFFFAOYSA-N |
| XLogP | 74.59 |
| TPSA | 224.86 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 324 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4145.10 |
| LogP ≤ 5 | 74.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |