C396H238Cl9N9O6S10 — CID 165026507
2'-(3-chloronaphthalen-2-yl)spiro[fluorene-9,9'-thioxanthene];3'-(3-chlorophenyl)spiro[fluorene-9,9'-xanthene];6-chloro-3-N',4-N,6-N'-triphenyl-4-N-(4-phenyldibenzofuran-2-yl)-3-N',6-N'-bis(3-phenyldibenzothiophen-1-yl)spiro[fluorene-9,9'-thioxanthene]-3',4,6'-triamine;3',6'-dichloro-3-N,6-N-bis(4-naphthalen-2-yldibenzothiophen-2-yl)-3-N,6-N-diphenylspiro[fluorene-9,9'-thioxanthene]-3,6-diamine;3',6'-dichloro-3-N-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-3-N,5-N-diphenyl-5-N-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,5-diamine;3,6-dichloro-3-N',6-N'-diphenyl-3-N',6-N'-bis(1-phenyldibenzofuran-3-yl)spiro[fluorene-9,9'-thioxanthene]-3',6'-diamine (PubChem CID 165026507) has the molecular formula C396H238Cl9N9O6S10 and a molecular weight of 5858.06 g/mol. Its IUPAC name is 2'-(3-chloronaphthalen-2-yl)spiro[fluorene-9,9'-thioxanthene];3'-(3-chlorophenyl)spiro[fluorene-9,9'-xanthene];6-chloro-3-N',4-N,6-N'-triphenyl-4-N-(4-phenyldibenzofuran-2-yl)-3-N',6-N'-bis(3-phenyldibenzothiophen-1-yl)spiro[fluorene-9,9'-thioxanthene]-3',4,6'-triamine;3',6'-dichloro-3-N,6-N-bis(4-naphthalen-2-yldibenzothiophen-2-yl)-3-N,6-N-diphenylspiro[fluorene-9,9'-thioxanthene]-3,6-diamine;3',6'-dichloro-3-N-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-3-N,5-N-diphenyl-5-N-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,5-diamine;3,6-dichloro-3-N',6-N'-diphenyl-3-N',6-N'-bis(1-phenyldibenzofuran-3-yl)spiro[fluorene-9,9'-thioxanthene]-3',6'-diamine.
| Compound Name | 2'-(3-chloronaphthalen-2-yl)spiro[fluorene-9,9'-thioxanthene];3'-(3-chlorophenyl)spiro[fluorene-9,9'-xanthene];6-chloro-3-N',4-N,6-N'-triphenyl-4-N-(4-phenyldibenzofuran-2-yl)-3-N',6-N'-bis(3-phenyldibenzothiophen-1-yl)spiro[fluorene-9,9'-thioxanthene]-3',4,6'-triamine;3',6'-dichloro-3-N,6-N-bis(4-naphthalen-2-yldibenzothiophen-2-yl)-3-N,6-N-diphenylspiro[fluorene-9,9'-thioxanthene]-3,6-diamine;3',6'-dichloro-3-N-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-3-N,5-N-diphenyl-5-N-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,5-diamine;3,6-dichloro-3-N',6-N'-diphenyl-3-N',6-N'-bis(1-phenyldibenzofuran-3-yl)spiro[fluorene-9,9'-thioxanthene]-3',6'-diamine |
|---|---|
| PubChem CID | 165026507 |
| Molecular Formula | C396H238Cl9N9O6S10 |
| Molecular Weight | 5858.06 g/mol |
| Exact Mass | 5848.30 |
| IUPAC Name | 2'-(3-chloronaphthalen-2-yl)spiro[fluorene-9,9'-thioxanthene];3'-(3-chlorophenyl)spiro[fluorene-9,9'-xanthene];6-chloro-3-N',4-N,6-N'-triphenyl-4-N-(4-phenyldibenzofuran-2-yl)-3-N',6-N'-bis(3-phenyldibenzothiophen-1-yl)spiro[fluorene-9,9'-thioxanthene]-3',4,6'-triamine;3',6'-dichloro-3-N,6-N-bis(4-naphthalen-2-yldibenzothiophen-2-yl)-3-N,6-N-diphenylspiro[fluorene-9,9'-thioxanthene]-3,6-diamine;3',6'-dichloro-3-N-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-3-N,5-N-diphenyl-5-N-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,5-diamine;3,6-dichloro-3-N',6-N'-diphenyl-3-N',6-N'-bis(1-phenyldibenzofuran-3-yl)spiro[fluorene-9,9'-thioxanthene]-3',6'-diamine |
| SMILES | Clc1cc2ccccc2cc1-c1ccc2c(c1)C1(c3ccccc3S2)c2ccccc2-c2ccccc21.Clc1ccc2c(c1)-c1c(N(c3ccccc3)c3cc(-c4ccccc4)c4oc5ccccc5c4c3)cccc1C21c2ccc(N(c3ccccc3)c3cc(-c4ccccc4)cc4sc5ccccc5c34)cc2Sc2cc(N(c3ccccc3)c3cc(-c4ccccc4)cc4sc5ccccc5c34)ccc21.Clc1ccc2c(c1)-c1cc(Cl)ccc1C21c2ccc(N(c3ccccc3)c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)cc2Sc2cc(N(c3ccccc3)c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)ccc21.Clc1ccc2c(c1)Sc1cc(Cl)ccc1C21c2ccc(N(c3ccccc3)c3cc(-c4ccc5ccccc5c4)c4sc5ccccc5c4c3)cc2-c2cc(N(c3ccccc3)c3cc(-c4ccc5ccccc5c4)c4sc5ccccc5c4c3)ccc21.Clc1ccc2c(c1)Sc1cc(Cl)ccc1C21c2ccc(N(c3ccccc3)c3cc(-c4cccc5c4oc4ccccc45)c4sc5ccccc5c4c3)cc2-c2c(N(c3ccccc3)c3cc(-c4ccccc4)c4oc5ccccc5c4c3)cccc21.Clc1cccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccccc32)c1 |
| InChI | InChI=1S/C97H60ClN3OS3.C81H48Cl2N2S3.C79H46Cl2N2O2S2.C73H44Cl2N2O2S.C35H21ClS.C31H19ClO/c98-66-46-49-79-78(56-66)93-82(41-25-42-83(93)101(69-36-17-6-18-37-69)72-57-76(63-30-11-3-12-31-63)96-77(58-72)73-38-19-22-43-86(73)102-96)97(79)80-50-47-70(99(67-32-13-4-14-33-67)84-52-64(61-26-7-1-8-27-61)54-91-94(84)74-39-20-23-44-87(74)103-91)59-89(80)105-90-60-71(48-51-81(90)97)100(68-34-15-5-16-35-68)85-53-65(62-28-9-2-10-29-62)55-92-95(85)75-40-21-24-45-88(75)104-92;82-55-31-35-73-77(41-55)86-78-42-56(83)32-36-74(78)81(73)71-37-33-59(84(57-19-3-1-4-20-57)61-45-65(53-29-27-49-15-7-9-17-51(49)39-53)79-69(47-61)63-23-11-13-25-75(63)87-79)43-67(71)68-44-60(34-38-72(68)81)85(58-21-5-2-6-22-58)62-46-66(54-30-28-50-16-8-10-18-52(50)40-54)80-70(48-62)64-24-12-14-26-76(64)88-80;80-48-34-37-66-73(40-48)86-74-41-49(81)35-38-67(74)79(66)65-39-36-52(82(50-20-6-2-7-21-50)53-45-62-57-26-12-15-33-72(57)87-78(62)63(46-53)59-28-16-27-58-55-24-10-13-31-70(55)84-76(58)59)42-64(65)75-68(79)29-17-30-69(75)83(51-22-8-3-9-23-51)54-43-60(47-18-4-1-5-19-47)77-61(44-54)56-25-11-14-32-71(56)85-77;74-47-29-33-61-59(37-47)60-38-48(75)30-34-62(60)73(61)63-35-31-51(76(49-21-9-3-10-22-49)53-39-57(45-17-5-1-6-18-45)71-55-25-13-15-27-65(55)78-67(71)41-53)43-69(63)80-70-44-52(32-36-64(70)73)77(50-23-11-4-12-24-50)54-40-58(46-19-7-2-8-20-46)72-56-26-14-16-28-66(56)79-68(72)42-54;36-32-21-23-10-2-1-9-22(23)19-27(32)24-17-18-34-31(20-24)35(30-15-7-8-16-33(30)37-34)28-13-5-3-11-25(28)26-12-4-6-14-29(26)35;32-22-9-7-8-20(18-22)21-16-17-28-30(19-21)33-29-15-6-5-14-27(29)31(28)25-12-3-1-10-23(25)24-11-2-4-13-26(24)31/h1-60H;1-48H;1-46H;1-44H;1-21H;1-19H |
| InChIKey | LYVQOIDVQXXWQD-UHFFFAOYSA-N |
| XLogP | 118.97 |
| TPSA | 104.09 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 430 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5858.06 |
| LogP ≤ 5 | 118.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |