C173H125N29O48S16 — CID 161262136
8-[(4-aminonaphthalen-1-yl)diazenyl]-5-phenyldiazenylnaphthalene-2-sulfonic acid;8-amino-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid;8-amino-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;8-anilino-5-[[4-(naphthalen-1-yldiazenyl)-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid;4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;decakis(sulfur trioxide) (PubChem CID 161262136) has the molecular formula C173H125N29O48S16 and a molecular weight of 3891.13 g/mol. Its IUPAC name is 8-[(4-aminonaphthalen-1-yl)diazenyl]-5-phenyldiazenylnaphthalene-2-sulfonic acid;8-amino-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid;8-amino-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;8-anilino-5-[[4-(naphthalen-1-yldiazenyl)-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid;4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;decakis(sulfur trioxide).
| Compound Name | 8-[(4-aminonaphthalen-1-yl)diazenyl]-5-phenyldiazenylnaphthalene-2-sulfonic acid;8-amino-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid;8-amino-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;8-anilino-5-[[4-(naphthalen-1-yldiazenyl)-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid;4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;decakis(sulfur trioxide) |
|---|---|
| PubChem CID | 161262136 |
| Molecular Formula | C173H125N29O48S16 |
| Molecular Weight | 3891.13 g/mol |
| Exact Mass | 3887.38 |
| IUPAC Name | 8-[(4-aminonaphthalen-1-yl)diazenyl]-5-phenyldiazenylnaphthalene-2-sulfonic acid;8-amino-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid;8-amino-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;8-anilino-5-[[4-(naphthalen-1-yldiazenyl)-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid;4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;decakis(sulfur trioxide) |
| SMILES | Nc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)c3ccc(S(=O)(=O)O)cc23)c2ccccc12.Nc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)c3ccccc23)c2ccc(S(=O)(=O)O)cc12.Nc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)c3ccccc23)c2cccc(S(=O)(=O)O)c12.Nc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)c3ccccc23)c2ccccc12.O=S(=O)(O)c1ccc2c(/N=N/c3cccc4ccccc34)ccc(/N=N/c3ccc(Nc4ccccc4)c4c(S(=O)(=O)O)cccc34)c2c1.O=S(=O)(O)c1cccc2c(/N=N/c3ccc(/N=N/c4ccccc4)c4ccccc34)ccc(Cc3ccccc3)c12.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O |
| InChI | InChI=1S/C36H25N5O6S2.C33H24N4O3S.3C26H19N5O3S.C26H19N5.10O3S/c42-48(43,44)25-16-17-27-29(22-25)33(19-18-31(27)39-38-30-14-6-9-23-8-4-5-12-26(23)30)41-40-32-20-21-34(37-24-10-2-1-3-11-24)36-28(32)13-7-15-35(36)49(45,46)47;38-41(39,40)32-17-9-16-28-31(19-18-24(33(28)32)22-23-10-3-1-4-11-23)37-36-30-21-20-29(26-14-7-8-15-27(26)30)35-34-25-12-5-2-6-13-25;27-21-13-14-24(20-11-6-12-25(26(20)21)35(32,33)34)31-30-23-16-15-22(18-9-4-5-10-19(18)23)29-28-17-7-2-1-3-8-17;27-23-12-13-24(21-11-10-18(16-22(21)23)35(32,33)34)30-31-26-15-14-25(19-8-4-5-9-20(19)26)29-28-17-6-2-1-3-7-17;27-23-12-13-24(20-9-5-4-8-19(20)23)30-31-26-15-14-25(29-28-17-6-2-1-3-7-17)21-11-10-18(16-22(21)26)35(32,33)34;27-23-14-15-24(20-11-5-4-10-19(20)23)30-31-26-17-16-25(21-12-6-7-13-22(21)26)29-28-18-8-2-1-3-9-18;10*1-4(2)3/h1-22,37H,(H,42,43,44)(H,45,46,47);1-21H,22H2,(H,38,39,40);3*1-16H,27H2,(H,32,33,34);1-17H,27H2;;;;;;;;;;/b39-38+,41-40+;35-34+,37-36+;4*29-28+,31-30+;;;;;;;;;; |
| InChIKey | VCRQQZUPMHGGQS-ZAXUGPFFSA-N |
| XLogP | 41.20 |
| TPSA | 1251.07 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 71 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 266 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3891.13 |
| LogP ≤ 5 | 41.20 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 71 |