bis[[[[[[[[(sulfanylidene-λ4-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-sulfanylidene]-λ4-sulfane;tert-butyl (2R)-2-[(R)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-[(S)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-formylpiperidine-1-carboxylate;tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-piperidine-1,2-dicarboxylate;(R)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;2,4-dibromoquinoline

C127H161Br4Cl2N13O19S44 — CID 159473064

IUPACbis[[[[[[[[(sulfanylidene-λ4-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-sulfanylidene]-λ4-sulfane;tert-butyl (2R)-2-[(R)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-[(S)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-formylpiperidine-1-carboxylate;tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-piperidine-1,2-dicarboxylate;(R)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;2,4-dibromoquinoline
SMILESBrc1cc(Br)c2ccccc2n1.CC(C)(C)OC(=O)N1CCCC[C@@H]1C=O.CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H](O)c1cc(Br)nc2ccccc12.CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](O)c1cc(Br)nc2ccccc12.COC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C.CON(C)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C.O[C@@H](c1cc(-c2ccc(Cl)cc2)nc2ccccc12)[C@H]1CCCCN1.O[C@H](c1cc(-c2ccc(Cl)cc2)nc2ccccc12)[C@H]1CCCCN1.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
InChIInChI=1S/2C21H21ClN2O.2C20H25BrN2O3.C13H24N2O4.C12H21NO4.C11H19NO3.C9H5Br2N.S23.S21/c2*22-15-10-8-14(9-11-15)20-13-17(16-5-1-2-6-18(16)24-20)21(25)19-7-3-4-12-23-19;2*1-20(2,3)26-19(25)23-11-7-6-10-16(23)18(24)14-12-17(21)22-15-9-5-4-8-13(14)15;1-13(2,3)19-12(17)15-9-7-6-8-10(15)11(16)14(4)18-5;1-12(2,3)17-11(15)13-8-6-5-7-9(13)10(14)16-4;1-11(2,3)15-10(14)12-7-5-4-6-9(12)8-13;10-7-5-9(11)12-8-4-2-1-3-6(7)8;1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h2*1-2,5-6,8-11,13,19,21,23,25H,3-4,7,12H2;2*4-5,8-9,12,16,18,24H,6-7,10-11H2,1-3H3;10H,6-9H2,1-5H3;9H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;1-5H;;/t19-,21+;19-,21-;16-,18+;16-,18-;10-;2*9-;;;/m1111111.../s1
InChIKeyLWARGEPXHFITNR-XKJUMIJBSA-N
MW3975.23 g/mol
LogP28.48
Rot. Bonds14

About bis[[[[[[[[(sulfanylidene-λ4-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-sulfanylidene]-λ4-sulfane;tert-butyl (2R)-2-[(R)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-[(S)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-formylpiperidine-1-carboxylate;tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-piperidine-1,2-dicarboxylate;(R)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;2,4-dibromoquinoline

bis[[[[[[[[(sulfanylidene-λ4-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-sulfanylidene]-λ4-sulfane;tert-butyl (2R)-2-[(R)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-[(S)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-formylpiperidine-1-carboxylate;tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-piperidine-1,2-dicarboxylate;(R)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;2,4-dibromoquinoline (PubChem CID 159473064) has the molecular formula C127H161Br4Cl2N13O19S44 and a molecular weight of 3975.23 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-sulfanylidene]-λ4-sulfane;bis[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;tert-butyl (2R)-2-[(R)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-[(S)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-formylpiperidine-1-carboxylate;tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-piperidine-1,2-dicarboxylate;(R)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;2,4-dibromoquinoline.

Molecular Properties

Compound Namebis[[[[[[[[(sulfanylidene-λ4-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-sulfanylidene]-λ4-sulfane;tert-butyl (2R)-2-[(R)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-[(S)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-formylpiperidine-1-carboxylate;tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-piperidine-1,2-dicarboxylate;(R)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;2,4-dibromoquinoline
PubChem CID159473064
Molecular FormulaC127H161Br4Cl2N13O19S44
Molecular Weight3975.23 g/mol
Exact Mass3964.59
IUPAC Namebis[[[[[[[[(sulfanylidene-λ4-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-sulfanylidene]-λ4-sulfane;tert-butyl (2R)-2-[(R)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-[(S)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-formylpiperidine-1-carboxylate;tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-piperidine-1,2-dicarboxylate;(R)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;2,4-dibromoquinoline
SMILESBrc1cc(Br)c2ccccc2n1.CC(C)(C)OC(=O)N1CCCC[C@@H]1C=O.CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H](O)c1cc(Br)nc2ccccc12.CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](O)c1cc(Br)nc2ccccc12.COC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C.CON(C)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C.O[C@@H](c1cc(-c2ccc(Cl)cc2)nc2ccccc12)[C@H]1CCCCN1.O[C@H](c1cc(-c2ccc(Cl)cc2)nc2ccccc12)[C@H]1CCCCN1.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
InChIInChI=1S/2C21H21ClN2O.2C20H25BrN2O3.C13H24N2O4.C12H21NO4.C11H19NO3.C9H5Br2N.S23.S21/c2*22-15-10-8-14(9-11-15)20-13-17(16-5-1-2-6-18(16)24-20)21(25)19-7-3-4-12-23-19;2*1-20(2,3)26-19(25)23-11-7-6-10-16(23)18(24)14-12-17(21)22-15-9-5-4-8-13(14)15;1-13(2,3)19-12(17)15-9-7-6-8-10(15)11(16)14(4)18-5;1-12(2,3)17-11(15)13-8-6-5-7-9(13)10(14)16-4;1-11(2,3)15-10(14)12-7-5-4-6-9(12)8-13;10-7-5-9(11)12-8-4-2-1-3-6(7)8;1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h2*1-2,5-6,8-11,13,19,21,23,25H,3-4,7,12H2;2*4-5,8-9,12,16,18,24H,6-7,10-11H2,1-3H3;10H,6-9H2,1-5H3;9H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;1-5H;;/t19-,21+;19-,21-;16-,18+;16-,18-;10-;2*9-;;;/m1111111.../s1
InChIKeyLWARGEPXHFITNR-XKJUMIJBSA-N
XLogP28.48
TPSA390.04 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds14
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003975.23
LogP ≤ 528.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bis[[[[[[[[(sulfanylidene-λ4-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-sulfanylidene]-λ4-sulfane;tert-butyl (2R)-2-[(R)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-[(S)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-formylpiperidine-1-carboxylate;tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-piperidine-1,2-dicarboxylate;(R)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;2,4-dibromoquinoline with MolForge

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Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis[[[[[[[[(sulfanylidene-λ4-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-sulfanylidene]-λ4-sulfane;tert-butyl (2R)-2-[(R)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-[(S)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-formylpiperidine-1-carboxylate;tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-piperidine-1,2-dicarboxylate;(R)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;2,4-dibromoquinoline?
The IUPAC name of bis[[[[[[[[(sulfanylidene-λ4-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-sulfanylidene]-λ4-sulfane;tert-butyl (2R)-2-[(R)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-[(S)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-formylpiperidine-1-carboxylate;tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-piperidine-1,2-dicarboxylate;(R)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;2,4-dibromoquinoline (CID 159473064) is bis[[[[[[[[(sulfanylidene-λ4-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-sulfanylidene]-λ4-sulfane;tert-butyl (2R)-2-[(R)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-[(S)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-formylpiperidine-1-carboxylate;tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-piperidine-1,2-dicarboxylate;(R)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;2,4-dibromoquinoline.
What is the SMILES notation for bis[[[[[[[[(sulfanylidene-λ4-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-sulfanylidene]-λ4-sulfane;tert-butyl (2R)-2-[(R)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-[(S)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-formylpiperidine-1-carboxylate;tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-piperidine-1,2-dicarboxylate;(R)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;2,4-dibromoquinoline?
The canonical SMILES for bis[[[[[[[[(sulfanylidene-λ4-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-sulfanylidene]-λ4-sulfane;tert-butyl (2R)-2-[(R)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-[(S)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-formylpiperidine-1-carboxylate;tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-piperidine-1,2-dicarboxylate;(R)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;2,4-dibromoquinoline is Brc1cc(Br)c2ccccc2n1.CC(C)(C)OC(=O)N1CCCC[C@@H]1C=O.CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H](O)c1cc(Br)nc2ccccc12.CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](O)c1cc(Br)nc2ccccc12.COC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C.CON(C)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C.O[C@@H](c1cc(-c2ccc(Cl)cc2)nc2ccccc12)[C@H]1CCCCN1.O[C@H](c1cc(-c2ccc(Cl)cc2)nc2ccccc12)[C@H]1CCCCN1.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.
What is the InChIKey of bis[[[[[[[[(sulfanylidene-λ4-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-sulfanylidene]-λ4-sulfane;tert-butyl (2R)-2-[(R)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-[(S)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-formylpiperidine-1-carboxylate;tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-piperidine-1,2-dicarboxylate;(R)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;2,4-dibromoquinoline?
The InChIKey is LWARGEPXHFITNR-XKJUMIJBSA-N. The full InChI is InChI=1S/2C21H21ClN2O.2C20H25BrN2O3.C13H24N2O4.C12H21NO4.C11H19NO3.C9H5Br2N.S23.S21/c2*22-15-10-8-14(9-11-15)20-13-17(16-5-1-2-6-18(16)24-20)21(25)19-7-3-4-12-23-19;2*1-20(2,3)26-19(25)23-11-7-6-10-16(23)18(24)14-12-17(21)22-15-9-5-4-8-13(14)15;1-13(2,3)19-12(17)15-9-7-6-8-10(15)11(16)14(4)18-5;1-12(2,3)17-11(15)13-8-6-5-7-9(13)10(14)16-4;1-11(2,3)15-10(14)12-7-5-4-6-9(12)8-13;10-7-5-9(11)12-8-4-2-1-3-6(7)8;1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h2*1-2,5-6,8-11,13,19,21,23,25H,3-4,7,12H2;2*4-5,8-9,12,16,18,24H,6-7,10-11H2,1-3H3;10H,6-9H2,1-5H3;9H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;1-5H;;/t19-,21+;19-,21-;16-,18+;16-,18-;10-;2*9-;;;/m1111111.../s1.
What are the key properties of bis[[[[[[[[(sulfanylidene-λ4-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-sulfanylidene]-λ4-sulfane;tert-butyl (2R)-2-[(R)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-[(S)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-formylpiperidine-1-carboxylate;tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-piperidine-1,2-dicarboxylate;(R)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;2,4-dibromoquinoline?
bis[[[[[[[[(sulfanylidene-λ4-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-sulfanylidene]-λ4-sulfane;tert-butyl (2R)-2-[(R)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-[(S)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-formylpiperidine-1-carboxylate;tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-piperidine-1,2-dicarboxylate;(R)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;2,4-dibromoquinoline has a molecular weight of 3975.23 g/mol, XLogP of 28.48, 14 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[[[[[[[(sulfanylidene-λ4-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-sulfanylidene]-λ4-sulfane;tert-butyl (2R)-2-[(R)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-[(S)-(2-bromoquinolin-4-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-formylpiperidine-1-carboxylate;tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-piperidine-1,2-dicarboxylate;(R)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;2,4-dibromoquinoline is sourced from PubChem (CID 159473064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).