C383H267N17O4S5 — CID 158339656
8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-2-N,2-N,4-N,4-N-tetraphenyldibenzofuran-2,4-diamine;4-N-dibenzothiophen-2-yl-4-N-dibenzothiophen-3-yl-8-(9,9-dimethylfluoren-3-yl)-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,4-diamine;8-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N-tetraphenyldibenzothiophene-2,4-diamine;2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)-8-(9-pyridin-3-ylcarbazol-3-yl)dibenzofuran-2,4-diamine;3-(N-[8-(9-methyl-9-phenylfluoren-3-yl)-4-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl]anilino)benzonitrile;2-N,4-N,8-tris(9,9-dimethylfluoren-3-yl)-2-N,4-N-diphenyldibenzofuran-2,4-diamine (PubChem CID 158339656) has the molecular formula C383H267N17O4S5 and a molecular weight of 5331.80 g/mol. Its IUPAC name is 8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-2-N,2-N,4-N,4-N-tetraphenyldibenzofuran-2,4-diamine;4-N-dibenzothiophen-2-yl-4-N-dibenzothiophen-3-yl-8-(9,9-dimethylfluoren-3-yl)-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,4-diamine;8-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N-tetraphenyldibenzothiophene-2,4-diamine;2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)-8-(9-pyridin-3-ylcarbazol-3-yl)dibenzofuran-2,4-diamine;3-(N-[8-(9-methyl-9-phenylfluoren-3-yl)-4-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl]anilino)benzonitrile;2-N,4-N,8-tris(9,9-dimethylfluoren-3-yl)-2-N,4-N-diphenyldibenzofuran-2,4-diamine.
| Compound Name | 8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-2-N,2-N,4-N,4-N-tetraphenyldibenzofuran-2,4-diamine;4-N-dibenzothiophen-2-yl-4-N-dibenzothiophen-3-yl-8-(9,9-dimethylfluoren-3-yl)-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,4-diamine;8-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N-tetraphenyldibenzothiophene-2,4-diamine;2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)-8-(9-pyridin-3-ylcarbazol-3-yl)dibenzofuran-2,4-diamine;3-(N-[8-(9-methyl-9-phenylfluoren-3-yl)-4-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl]anilino)benzonitrile;2-N,4-N,8-tris(9,9-dimethylfluoren-3-yl)-2-N,4-N-diphenyldibenzofuran-2,4-diamine |
|---|---|
| PubChem CID | 158339656 |
| Molecular Formula | C383H267N17O4S5 |
| Molecular Weight | 5331.80 g/mol |
| Exact Mass | 5326.98 |
| IUPAC Name | 8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-2-N,2-N,4-N,4-N-tetraphenyldibenzofuran-2,4-diamine;4-N-dibenzothiophen-2-yl-4-N-dibenzothiophen-3-yl-8-(9,9-dimethylfluoren-3-yl)-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,4-diamine;8-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N-tetraphenyldibenzothiophene-2,4-diamine;2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)-8-(9-pyridin-3-ylcarbazol-3-yl)dibenzofuran-2,4-diamine;3-(N-[8-(9-methyl-9-phenylfluoren-3-yl)-4-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl]anilino)benzonitrile;2-N,4-N,8-tris(9,9-dimethylfluoren-3-yl)-2-N,4-N-diphenyldibenzofuran-2,4-diamine |
| SMILES | CC1(C)c2ccccc2-c2cc(-c3ccc4oc5c(N(c6ccccc6)c6ccc7c(c6)-c6ccccc6C7(C)C)cc(N(c6ccccc6)c6ccc7c(c6)-c6ccccc6C7(C)C)cc5c4c3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc4sc5c(N(c6ccc7c(c6)sc6ccccc67)c6ccc7sc8ccccc8c7c6)cc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5c4c3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc4sc5c(N(c6ccccc6)c6ccccc6)cc(N(c6ccccc6)c6ccccc6)cc5c4c3)ccc21.CC1(c2ccccc2)c2ccccc2-c2cc(-c3ccc4oc5c(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc(N(c6ccccc6)c6cccc(C#N)c6)cc5c4c3)ccc21.c1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccnc6)cc5c4c3)cc2)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5ccccc56)cc4c3c2)cc1 |
| InChI | InChI=1S/C69H46N4O.C69H54N2O.C69H46N2S3.C65H44N4O.C60H39N3OS.C51H38N2S/c1-69(49-20-6-2-7-21-49)62-31-16-14-29-56(62)58-40-47(33-36-63(58)69)48-34-38-67-60(41-48)61-43-55(71(50-22-8-3-9-23-50)53-28-18-19-46(39-53)45-70)44-66(68(61)74-67)72(51-24-10-4-11-25-51)54-35-37-65-59(42-54)57-30-15-17-32-64(57)73(65)52-26-12-5-13-27-52;1-67(2)58-26-16-13-23-50(58)53-37-43(29-33-61(53)67)44-30-36-65-56(38-44)57-41-49(70(45-19-9-7-10-20-45)47-31-34-62-54(39-47)51-24-14-17-27-59(51)68(62,3)4)42-64(66(57)72-65)71(46-21-11-8-12-22-46)48-32-35-63-55(40-48)52-25-15-18-28-60(52)69(63,5)6;1-69(2)60-22-12-9-19-52(60)56-37-45(27-34-61(56)69)46-28-35-66-57(38-46)59-40-51(70(47-17-7-4-8-18-47)48-29-25-44(26-30-48)43-15-5-3-6-16-43)41-62(68(59)74-66)71(49-32-36-65-58(39-49)54-21-11-14-24-64(54)72-65)50-31-33-55-53-20-10-13-23-63(53)73-67(55)42-50;1-5-16-45(17-6-1)47-27-33-53(34-28-47)67(51-20-9-3-10-21-51)56-42-60-59-41-50(49-31-37-62-58(40-49)57-25-13-14-26-61(57)69(62)55-24-15-39-66-44-55)32-38-64(59)70-65(60)63(43-56)68(52-22-11-4-12-23-52)54-35-29-48(30-36-54)46-18-7-2-8-19-46;1-5-18-42(19-6-1)61(43-20-7-2-8-21-43)46-38-52-51-37-41(33-35-57(51)64-59(52)56(39-46)62(44-22-9-3-10-23-44)45-24-11-4-12-25-45)40-32-34-54-50(36-40)47-26-13-15-29-53(47)63(54)55-30-17-28-49-48-27-14-16-31-58(48)65-60(49)55;1-51(2)46-26-16-15-25-42(46)43-31-35(27-29-47(43)51)36-28-30-49-44(32-36)45-33-41(52(37-17-7-3-8-18-37)38-19-9-4-10-20-38)34-48(50(45)54-49)53(39-21-11-5-12-22-39)40-23-13-6-14-24-40/h2-44H,1H3;7-42H,1-6H3;3-42H,1-2H3;1-44H;1-39H;3-34H,1-2H3 |
| InChIKey | GQZSYBJSIHYQKD-UHFFFAOYSA-N |
| XLogP | 109.62 |
| TPSA | 142.91 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 409 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5331.80 |
| LogP ≤ 5 | 109.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |