C358H239N13O2 — CID 159694295
5-[6,9-bis(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5,5'-di(dibenzofuran-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole];5-[9-(2,4-dimethylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole;7,7-dimethyl-2-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;7,7-dimethyl-2-phenyl-5-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]indeno[2,1-b]carbazole;5-phenyl-5'-(9-phenylcarbazol-3-yl)-7,7'-spirobi[indeno[2,1-b]carbazole] (PubChem CID 159694295) has the molecular formula C358H239N13O2 and a molecular weight of 4754.94 g/mol. Its IUPAC name is 5-[6,9-bis(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5,5'-di(dibenzofuran-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole];5-[9-(2,4-dimethylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole;7,7-dimethyl-2-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;7,7-dimethyl-2-phenyl-5-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]indeno[2,1-b]carbazole;5-phenyl-5'-(9-phenylcarbazol-3-yl)-7,7'-spirobi[indeno[2,1-b]carbazole].
| Compound Name | 5-[6,9-bis(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5,5'-di(dibenzofuran-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole];5-[9-(2,4-dimethylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole;7,7-dimethyl-2-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;7,7-dimethyl-2-phenyl-5-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]indeno[2,1-b]carbazole;5-phenyl-5'-(9-phenylcarbazol-3-yl)-7,7'-spirobi[indeno[2,1-b]carbazole] |
|---|---|
| PubChem CID | 159694295 |
| Molecular Formula | C358H239N13O2 |
| Molecular Weight | 4754.94 g/mol |
| Exact Mass | 4750.90 |
| IUPAC Name | 5-[6,9-bis(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5,5'-di(dibenzofuran-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole];5-[9-(2,4-dimethylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole;7,7-dimethyl-2-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;7,7-dimethyl-2-phenyl-5-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]indeno[2,1-b]carbazole;5-phenyl-5'-(9-phenylcarbazol-3-yl)-7,7'-spirobi[indeno[2,1-b]carbazole] |
| SMILES | CC1(C)c2ccccc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4ccc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccc(-c6ccccc6)cc5)cc4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4ccc5c(c4)c4cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)ccc4n5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc(-c5ccccc5)cc4)c3cc21.Cc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6c(cc54)C(C)(C)c4ccccc4-6)ccc32)c(C)c1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-c5cc7c8ccccc8n(-c8ccccc8)c7cc54)c4ccccc4-6)ccc32)cc1.c1ccc2c(c1)-c1cc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3cc1C21c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3cc21 |
| InChI | InChI=1S/C75H52N2.C63H44N2.C61H37N3.C61H34N2O2.C57H40N2.C41H32N2/c1-75(2)69-31-19-18-30-63(69)64-47-68-66-44-54(49-20-8-3-9-21-49)32-35-71(66)76(74(68)48-70(64)75)61-34-37-73-67(46-61)65-45-55(58-39-56(50-22-10-4-11-23-50)38-57(40-58)51-24-12-5-13-25-51)33-36-72(65)77(73)62-42-59(52-26-14-6-15-27-52)41-60(43-62)53-28-16-7-17-29-53;1-63(2)57-21-13-12-20-51(57)52-39-56-55-37-47(43-18-10-5-11-19-43)27-35-61(55)65(62(56)40-58(52)63)50-31-24-45(25-32-50)48-28-34-60-54(38-48)53-36-46(42-16-8-4-9-17-42)26-33-59(53)64(60)49-29-22-44(23-30-49)41-14-6-3-7-15-41;1-3-17-38(18-4-1)62-55-28-14-9-23-43(55)48-33-40(31-32-58(48)62)64-57-30-16-11-25-45(57)50-35-47-42-22-8-13-27-52(42)61(54(47)37-60(50)64)51-26-12-7-21-41(51)46-34-49-44-24-10-15-29-56(44)63(59(49)36-53(46)61)39-19-5-2-6-20-39;1-7-19-49-37(13-1)43-31-45-39-15-3-9-21-53(39)62(35-25-27-59-47(29-35)41-17-5-11-23-57(41)64-59)55(45)33-51(43)61(49)50-20-8-2-14-38(50)44-32-46-40-16-4-10-22-54(40)63(56(46)34-52(44)61)36-26-28-60-48(30-36)42-18-6-12-24-58(42)65-60;1-57(2)51-21-13-12-20-45(51)46-35-50-48-33-42(39-18-10-5-11-19-39)25-30-54(48)59(56(50)36-52(46)57)44-28-31-55-49(34-44)47-32-41(38-16-8-4-9-17-38)24-29-53(47)58(55)43-26-22-40(23-27-43)37-14-6-3-7-15-37;1-25-17-19-36(26(2)21-25)43-38-16-10-7-12-29(38)32-22-27(18-20-39(32)43)42-37-15-9-6-13-30(37)33-23-31-28-11-5-8-14-34(28)41(3,4)35(31)24-40(33)42/h3-48H,1-2H3;3-40H,1-2H3;1-37H;1-34H;3-36H,1-2H3;5-24H,1-4H3 |
| InChIKey | MWUSPSXTEVGBJS-UHFFFAOYSA-N |
| XLogP | 94.38 |
| TPSA | 90.37 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 373 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4754.94 |
| LogP ≤ 5 | 94.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |