C186H115N19 — CID 161013435
5-[2-carbazol-9-yl-4-phenyl-5,6-bis(pyrido[3,2-b]indol-5-yl)-3-pyridinyl]pyrido[3,2-b]indole;9-phenyl-2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-phenyl-3-pyridinyl]carbazole (PubChem CID 161013435) has the molecular formula C186H115N19 and a molecular weight of 2616.10 g/mol. Its IUPAC name is 5-[2-carbazol-9-yl-4-phenyl-5,6-bis(pyrido[3,2-b]indol-5-yl)-3-pyridinyl]pyrido[3,2-b]indole;9-phenyl-2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-phenyl-3-pyridinyl]carbazole.
| Compound Name | 5-[2-carbazol-9-yl-4-phenyl-5,6-bis(pyrido[3,2-b]indol-5-yl)-3-pyridinyl]pyrido[3,2-b]indole;9-phenyl-2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-phenyl-3-pyridinyl]carbazole |
|---|---|
| PubChem CID | 161013435 |
| Molecular Formula | C186H115N19 |
| Molecular Weight | 2616.10 g/mol |
| Exact Mass | 2613.96 |
| IUPAC Name | 5-[2-carbazol-9-yl-4-phenyl-5,6-bis(pyrido[3,2-b]indol-5-yl)-3-pyridinyl]pyrido[3,2-b]indole;9-phenyl-2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-phenyl-3-pyridinyl]carbazole |
| SMILES | c1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2c(-n3c4ccccc4c4ncccc43)c(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ncccc43)c2-n2c3ccccc3c3ncccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)c4-n4c5ccccc5c5ccccc54)cc32)cc1 |
| InChI | InChI=1S/C71H44N6.C59H37N5.C56H34N8/c1-2-22-46(23-3-1)73-57-33-13-4-32-55(57)56-43-42-45(44-66(56)73)67-68(74-58-34-14-5-24-47(58)48-25-6-15-35-59(48)74)70(76-62-38-18-9-28-51(62)52-29-10-19-39-63(52)76)72-71(77-64-40-20-11-30-53(64)54-31-12-21-41-65(54)77)69(67)75-60-36-16-7-26-49(60)50-27-8-17-37-61(50)75;1-2-20-38(21-3-1)55-56(61-47-30-12-4-22-39(47)40-23-5-13-31-48(40)61)58(63-51-34-16-8-26-43(51)44-27-9-17-35-52(44)63)60-59(64-53-36-18-10-28-45(53)46-29-11-19-37-54(46)64)57(55)62-49-32-14-6-24-41(49)42-25-7-15-33-50(42)62;1-2-17-35(18-3-1)49-53(61-43-26-11-6-21-38(43)50-46(61)29-14-32-57-50)55(63-41-24-9-4-19-36(41)37-20-5-10-25-42(37)63)60-56(64-45-28-13-8-23-40(45)52-48(64)31-16-34-59-52)54(49)62-44-27-12-7-22-39(44)51-47(62)30-15-33-58-51/h1-44H;1-37H;1-34H |
| InChIKey | TXKJPBFTWXFPQU-UHFFFAOYSA-N |
| XLogP | 46.69 |
| TPSA | 141.43 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 205 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2616.10 |
| LogP ≤ 5 | 46.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |