C153H153Cl7F6N30O14S86 — CID 167630296
bis[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;tert-butyl 4-[2-[4-(3-chloro-2-fluoroanilino)-6-nitroquinazolin-7-yl]ethynyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-ethynyl-4-methylpiperidine-1-carboxylate;N-[4-(3-chloro-2-fluoroanilino)-7-[2-(1,4-dimethylpiperidin-4-yl)ethynyl]quinazolin-6-yl]prop-2-enamide;N-(3-chloro-2-fluorophenyl)-7-[2-(1,4-dimethylpiperidin-4-yl)ethynyl]-6-nitroquinazolin-4-amine;4-N-(3-chloro-2-fluorophenyl)-7-[2-(1,4-dimethylpiperidin-4-yl)ethynyl]quinazoline-4,6-diamine;N-(3-chloro-2-fluorophenyl)-7-methyl-6-nitroquinazolin-4-amine;N-(3-chloro-2-fluorophenyl)-7-[2-(4-methylpiperidin-4-yl)ethynyl]-6-nitroquinazolin-4-amine;methane;prop-2-enoyl chloride;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (PubChem CID 167630296) has the molecular formula C153H153Cl7F6N30O14S86 and a molecular weight of 5756.02 g/mol. Its IUPAC name is bis[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;tert-butyl 4-[2-[4-(3-chloro-2-fluoroanilino)-6-nitroquinazolin-7-yl]ethynyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-ethynyl-4-methylpiperidine-1-carboxylate;N-[4-(3-chloro-2-fluoroanilino)-7-[2-(1,4-dimethylpiperidin-4-yl)ethynyl]quinazolin-6-yl]prop-2-enamide;N-(3-chloro-2-fluorophenyl)-7-[2-(1,4-dimethylpiperidin-4-yl)ethynyl]-6-nitroquinazolin-4-amine;4-N-(3-chloro-2-fluorophenyl)-7-[2-(1,4-dimethylpiperidin-4-yl)ethynyl]quinazoline-4,6-diamine;N-(3-chloro-2-fluorophenyl)-7-methyl-6-nitroquinazolin-4-amine;N-(3-chloro-2-fluorophenyl)-7-[2-(4-methylpiperidin-4-yl)ethynyl]-6-nitroquinazolin-4-amine;methane;prop-2-enoyl chloride;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.
| Compound Name | bis[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;tert-butyl 4-[2-[4-(3-chloro-2-fluoroanilino)-6-nitroquinazolin-7-yl]ethynyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-ethynyl-4-methylpiperidine-1-carboxylate;N-[4-(3-chloro-2-fluoroanilino)-7-[2-(1,4-dimethylpiperidin-4-yl)ethynyl]quinazolin-6-yl]prop-2-enamide;N-(3-chloro-2-fluorophenyl)-7-[2-(1,4-dimethylpiperidin-4-yl)ethynyl]-6-nitroquinazolin-4-amine;4-N-(3-chloro-2-fluorophenyl)-7-[2-(1,4-dimethylpiperidin-4-yl)ethynyl]quinazoline-4,6-diamine;N-(3-chloro-2-fluorophenyl)-7-methyl-6-nitroquinazolin-4-amine;N-(3-chloro-2-fluorophenyl)-7-[2-(4-methylpiperidin-4-yl)ethynyl]-6-nitroquinazolin-4-amine;methane;prop-2-enoyl chloride;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane |
|---|---|
| PubChem CID | 167630296 |
| Molecular Formula | C153H153Cl7F6N30O14S86 |
| Molecular Weight | 5756.02 g/mol |
| Exact Mass | 5742.59 |
| IUPAC Name | bis[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;bis[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;tert-butyl 4-[2-[4-(3-chloro-2-fluoroanilino)-6-nitroquinazolin-7-yl]ethynyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-ethynyl-4-methylpiperidine-1-carboxylate;N-[4-(3-chloro-2-fluoroanilino)-7-[2-(1,4-dimethylpiperidin-4-yl)ethynyl]quinazolin-6-yl]prop-2-enamide;N-(3-chloro-2-fluorophenyl)-7-[2-(1,4-dimethylpiperidin-4-yl)ethynyl]-6-nitroquinazolin-4-amine;4-N-(3-chloro-2-fluorophenyl)-7-[2-(1,4-dimethylpiperidin-4-yl)ethynyl]quinazoline-4,6-diamine;N-(3-chloro-2-fluorophenyl)-7-methyl-6-nitroquinazolin-4-amine;N-(3-chloro-2-fluorophenyl)-7-[2-(4-methylpiperidin-4-yl)ethynyl]-6-nitroquinazolin-4-amine;methane;prop-2-enoyl chloride;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane |
| SMILES | C.C#CC1(C)CCN(C(=O)OC(C)(C)C)CC1.C=CC(=O)Cl.C=CC(=O)Nc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1C#CC1(C)CCN(C)CC1.CC1(C#Cc2cc3ncnc(Nc4cccc(Cl)c4F)c3cc2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1.CC1(C#Cc2cc3ncnc(Nc4cccc(Cl)c4F)c3cc2[N+](=O)[O-])CCNCC1.CN1CCC(C)(C#Cc2cc3ncnc(Nc4cccc(Cl)c4F)c3cc2N)CC1.CN1CCC(C)(C#Cc2cc3ncnc(Nc4cccc(Cl)c4F)c3cc2[N+](=O)[O-])CC1.Cc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1[N+](=O)[O-].S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S |
| InChI | InChI=1S/C27H27ClFN5O4.C26H25ClFN5O.C23H21ClFN5O2.C23H23ClFN5.C22H19ClFN5O2.C15H10ClFN4O2.C13H21NO2.C3H3ClO.CH4.S21.S20.S19.S18.S8/c1-26(2,3)38-25(35)33-12-10-27(4,11-13-33)9-8-17-14-21-18(15-22(17)34(36)37)24(31-16-30-21)32-20-7-5-6-19(28)23(20)29;1-4-23(34)31-21-15-18-22(14-17(21)8-9-26(2)10-12-33(3)13-11-26)29-16-30-25(18)32-20-7-5-6-19(27)24(20)28;1-23(8-10-29(2)11-9-23)7-6-15-12-19-16(13-20(15)30(31)32)22(27-14-26-19)28-18-5-3-4-17(24)21(18)25;1-23(8-10-30(2)11-9-23)7-6-15-12-20-16(13-18(15)26)22(28-14-27-20)29-19-5-3-4-17(24)21(19)25;1-22(7-9-25-10-8-22)6-5-14-11-18-15(12-19(14)29(30)31)21(27-13-26-18)28-17-4-2-3-16(23)20(17)24;1-8-5-12-9(6-13(8)21(22)23)15(19-7-18-12)20-11-4-2-3-10(16)14(11)17;1-6-13(5)7-9-14(10-8-13)11(15)16-12(2,3)4;1-2-3(4)5;;1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-3-5-7-8-6-4-2/h5-7,14-16H,10-13H2,1-4H3,(H,30,31,32);4-7,14-16H,1,10-13H2,2-3H3,(H,31,34)(H,29,30,32);3-5,12-14H,8-11H2,1-2H3,(H,26,27,28);3-5,12-14H,8-11,26H2,1-2H3,(H,27,28,29);2-4,11-13,25H,7-10H2,1H3,(H,26,27,28);2-7H,1H3,(H,18,19,20);1H,7-10H2,2-5H3;2H,1H2;1H4;;;;; |
| InChIKey | NRQIAFGJGGGVBV-UHFFFAOYSA-N |
| XLogP | 35.05 |
| TPSA | 552.44 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 296 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5756.02 |
| LogP ≤ 5 | 35.05 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 47 |