C292H194N10S10 — CID 158523647
N-chrysen-6-yl-N-phenyldibenzothiophen-2-amine;9-N,10-N-di(dibenzothiophen-2-yl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;N-phenyl-N-(10-phenylanthracen-9-yl)dibenzothiophen-2-amine (PubChem CID 158523647) has the molecular formula C292H194N10S10 and a molecular weight of 4163.50 g/mol. Its IUPAC name is N-chrysen-6-yl-N-phenyldibenzothiophen-2-amine;9-N,10-N-di(dibenzothiophen-2-yl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;N-phenyl-N-(10-phenylanthracen-9-yl)dibenzothiophen-2-amine.
| Compound Name | N-chrysen-6-yl-N-phenyldibenzothiophen-2-amine;9-N,10-N-di(dibenzothiophen-2-yl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;N-phenyl-N-(10-phenylanthracen-9-yl)dibenzothiophen-2-amine |
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| PubChem CID | 158523647 |
| Molecular Formula | C292H194N10S10 |
| Molecular Weight | 4163.50 g/mol |
| Exact Mass | 4159.27 |
| IUPAC Name | N-chrysen-6-yl-N-phenyldibenzothiophen-2-amine;9-N,10-N-di(dibenzothiophen-2-yl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;N-phenyl-N-(10-phenylanthracen-9-yl)dibenzothiophen-2-amine |
| SMILES | Cc1ccc2c(c1)c(N(c1ccccc1)c1ccc3sc4ccccc4c3c1)cc1c3ccc(C)cc3c(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)cc21.Cc1cccc(N(c2ccc3sc4ccccc4c3c2)c2c3ccccc3c(N(c3cccc(C)c3)c3ccc4sc5ccccc5c4c3)c3ccccc23)c1.Cc1cccc(N(c2ccc3sc4ccccc4c3c2)c2cc3c4ccccc4c(N(c4cccc(C)c4)c4ccc5sc6ccccc6c5c4)cc3c3ccccc23)c1.c1ccc(-c2c3ccccc3c(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)c3ccccc23)cc1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cc3c4ccccc4c(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc3c3ccccc23)cc1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cc3c4ccccc4ccc3c3ccccc23)cc1 |
| InChI | InChI=1S/2C56H38N2S2.C54H34N2S2.C52H36N2S2.C38H25NS.C36H23NS/c1-35-13-11-15-37(29-35)57(39-25-27-55-49(31-39)45-21-7-9-23-53(45)59-55)51-33-47-42-18-4-6-20-44(42)52(34-48(47)41-17-3-5-19-43(41)51)58(38-16-12-14-36(2)30-38)40-26-28-56-50(32-40)46-22-8-10-24-54(46)60-56;1-35-21-25-41-45-34-52(58(38-15-7-4-8-16-38)40-24-28-56-50(32-40)44-18-10-12-20-54(44)60-56)48-30-36(2)22-26-42(48)46(45)33-51(47(41)29-35)57(37-13-5-3-6-14-37)39-23-27-55-49(31-39)43-17-9-11-19-53(43)59-55;1-3-15-35(16-4-1)55(37-27-29-53-47(31-37)43-23-11-13-25-51(43)57-53)49-33-45-40-20-8-10-22-42(40)50(34-46(45)39-19-7-9-21-41(39)49)56(36-17-5-2-6-18-36)38-28-30-54-48(32-38)44-24-12-14-26-52(44)58-54;1-33-13-11-15-35(29-33)53(37-25-27-49-45(31-37)39-17-7-9-23-47(39)55-49)51-41-19-3-5-21-43(41)52(44-22-6-4-20-42(44)51)54(36-16-12-14-34(2)30-36)38-26-28-50-46(32-38)40-18-8-10-24-48(40)56-50;1-3-13-26(14-4-1)37-30-18-7-9-20-32(30)38(33-21-10-8-19-31(33)37)39(27-15-5-2-6-16-27)28-23-24-36-34(25-28)29-17-11-12-22-35(29)40-36;1-2-11-25(12-3-1)37(26-19-21-36-33(22-26)31-16-8-9-17-35(31)38-36)34-23-32-27-13-5-4-10-24(27)18-20-29(32)28-14-6-7-15-30(28)34/h2*3-34H,1-2H3;1-34H;3-32H,1-2H3;1-25H;1-23H |
| InChIKey | HMNGONDQSXNYQO-UHFFFAOYSA-N |
| XLogP | 90.47 |
| TPSA | 32.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 312 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4163.50 |
| LogP ≤ 5 | 90.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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