bis(6-bromohexa-2,4-diyn-1-ol);(1R,2S)-1-[4-(6-bromohexa-2,4-diynoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene;tert-butyl (4S)-5-amino-4-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-1H-isoindol-2-yl]pentanoate;dichloromethane;(3S)-3-[6-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diyn-1-ol

C216H199Br3Cl2N6O26 — CID 160538899

IUPACbis(6-bromohexa-2,4-diyn-1-ol);(1R,2S)-1-[4-(6-bromohexa-2,4-diynoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene;tert-butyl (4S)-5-amino-4-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-1H-isoindol-2-yl]pentanoate;dichloromethane;(3S)-3-[6-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diyn-1-ol
SMILESBrCC#CC#CCOc1ccc([C@@H]2c3ccc(OCc4ccccc4)cc3CC[C@@H]2c2ccccc2)cc1.CC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2cc(O)ccc2C1=O.CC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2cc(OCC#CC#CCOc3ccc([C@@H]4c5ccc(OCc6ccccc6)cc5CC[C@@H]4c4ccccc4)cc3)ccc2C1=O.Cc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(O)cc1.ClCCl.O=C1CC[C@H](N2Cc3cc(OCC#CC#CCOc4ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc4)ccc3C2=O)C(=O)N1.OCC#CC#CCBr.OCC#CC#CCBr.OCC#CC#CCOc1ccc([C@@H]2c3ccc(OCc4ccccc4)cc3CC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C52H50N2O7.C41H34N2O6.C35H29BrO2.C35H30O3.C23H22O.C17H22N2O5.2C6H5BrO.CH2Cl2/c1-52(2,3)61-48(55)29-28-47(50(53)56)54-34-40-33-42(24-27-46(40)51(54)57)59-31-13-5-4-12-30-58-41-21-18-38(19-22-41)49-44(37-16-10-7-11-17-37)25-20-39-32-43(23-26-45(39)49)60-35-36-14-8-6-9-15-36;44-31-13-18-35-29(24-31)12-17-34(27-8-4-3-5-9-27)39(35)28-10-14-32(15-11-28)48-22-6-1-2-7-23-49-33-16-19-36-30(25-33)26-43(41(36)47)37-20-21-38(45)42-40(37)46;2*36-23-9-1-2-10-24-37-31-18-15-29(16-19-31)35-33(28-13-7-4-8-14-28)21-17-30-25-32(20-22-34(30)35)38-26-27-11-5-3-6-12-27;1-16-7-13-22-19(15-16)10-14-21(17-5-3-2-4-6-17)23(22)18-8-11-20(24)12-9-18;1-17(2,3)24-14(21)7-6-13(15(18)22)19-9-10-8-11(20)4-5-12(10)16(19)23;2*7-5-3-1-2-4-6-8;2-1-3/h6-11,14-19,21-24,26-27,32-33,44,47,49H,20,25,28-31,34-35H2,1-3H3,(H2,53,56);3-5,8-11,13-16,18-19,24-25,34,37,39,44H,12,17,20-23,26H2,(H,42,45,46);3-8,11-16,18-20,22,25,33,35H,17,21,23-24,26H2;3-8,11-16,18-20,22,25,33,35-36H,17,21,23-24,26H2;2-9,11-13,15,21,23-24H,10,14H2,1H3;4-5,8,13,20H,6-7,9H2,1-3H3,(H2,18,22);2*8H,5-6H2;1H2/t44-,47+,49+;34-,37+,39+;2*33-,35+;21-,23+;13-;;;/m111110.../s1
InChIKeyQWNAMDISPASEDB-HAPYMWQLSA-N
MW3605.60 g/mol
LogP37.49
Rot. Bonds42

About bis(6-bromohexa-2,4-diyn-1-ol);(1R,2S)-1-[4-(6-bromohexa-2,4-diynoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene;tert-butyl (4S)-5-amino-4-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-1H-isoindol-2-yl]pentanoate;dichloromethane;(3S)-3-[6-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diyn-1-ol

bis(6-bromohexa-2,4-diyn-1-ol);(1R,2S)-1-[4-(6-bromohexa-2,4-diynoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene;tert-butyl (4S)-5-amino-4-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-1H-isoindol-2-yl]pentanoate;dichloromethane;(3S)-3-[6-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diyn-1-ol (PubChem CID 160538899) has the molecular formula C216H199Br3Cl2N6O26 and a molecular weight of 3605.60 g/mol. Its IUPAC name is bis(6-bromohexa-2,4-diyn-1-ol);(1R,2S)-1-[4-(6-bromohexa-2,4-diynoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene;tert-butyl (4S)-5-amino-4-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-1H-isoindol-2-yl]pentanoate;dichloromethane;(3S)-3-[6-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diyn-1-ol.

Molecular Properties

Compound Namebis(6-bromohexa-2,4-diyn-1-ol);(1R,2S)-1-[4-(6-bromohexa-2,4-diynoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene;tert-butyl (4S)-5-amino-4-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-1H-isoindol-2-yl]pentanoate;dichloromethane;(3S)-3-[6-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diyn-1-ol
PubChem CID160538899
Molecular FormulaC216H199Br3Cl2N6O26
Molecular Weight3605.60 g/mol
Exact Mass3599.14
IUPAC Namebis(6-bromohexa-2,4-diyn-1-ol);(1R,2S)-1-[4-(6-bromohexa-2,4-diynoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene;tert-butyl (4S)-5-amino-4-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-1H-isoindol-2-yl]pentanoate;dichloromethane;(3S)-3-[6-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diyn-1-ol
SMILESBrCC#CC#CCOc1ccc([C@@H]2c3ccc(OCc4ccccc4)cc3CC[C@@H]2c2ccccc2)cc1.CC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2cc(O)ccc2C1=O.CC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2cc(OCC#CC#CCOc3ccc([C@@H]4c5ccc(OCc6ccccc6)cc5CC[C@@H]4c4ccccc4)cc3)ccc2C1=O.Cc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(O)cc1.ClCCl.O=C1CC[C@H](N2Cc3cc(OCC#CC#CCOc4ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc4)ccc3C2=O)C(=O)N1.OCC#CC#CCBr.OCC#CC#CCBr.OCC#CC#CCOc1ccc([C@@H]2c3ccc(OCc4ccccc4)cc3CC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C52H50N2O7.C41H34N2O6.C35H29BrO2.C35H30O3.C23H22O.C17H22N2O5.2C6H5BrO.CH2Cl2/c1-52(2,3)61-48(55)29-28-47(50(53)56)54-34-40-33-42(24-27-46(40)51(54)57)59-31-13-5-4-12-30-58-41-21-18-38(19-22-41)49-44(37-16-10-7-11-17-37)25-20-39-32-43(23-26-45(39)49)60-35-36-14-8-6-9-15-36;44-31-13-18-35-29(24-31)12-17-34(27-8-4-3-5-9-27)39(35)28-10-14-32(15-11-28)48-22-6-1-2-7-23-49-33-16-19-36-30(25-33)26-43(41(36)47)37-20-21-38(45)42-40(37)46;2*36-23-9-1-2-10-24-37-31-18-15-29(16-19-31)35-33(28-13-7-4-8-14-28)21-17-30-25-32(20-22-34(30)35)38-26-27-11-5-3-6-12-27;1-16-7-13-22-19(15-16)10-14-21(17-5-3-2-4-6-17)23(22)18-8-11-20(24)12-9-18;1-17(2,3)24-14(21)7-6-13(15(18)22)19-9-10-8-11(20)4-5-12(10)16(19)23;2*7-5-3-1-2-4-6-8;2-1-3/h6-11,14-19,21-24,26-27,32-33,44,47,49H,20,25,28-31,34-35H2,1-3H3,(H2,53,56);3-5,8-11,13-16,18-19,24-25,34,37,39,44H,12,17,20-23,26H2,(H,42,45,46);3-8,11-16,18-20,22,25,33,35H,17,21,23-24,26H2;3-8,11-16,18-20,22,25,33,35-36H,17,21,23-24,26H2;2-9,11-13,15,21,23-24H,10,14H2,1H3;4-5,8,13,20H,6-7,9H2,1-3H3,(H2,18,22);2*8H,5-6H2;1H2/t44-,47+,49+;34-,37+,39+;2*33-,35+;21-,23+;13-;;;/m111110.../s1
InChIKeyQWNAMDISPASEDB-HAPYMWQLSA-N
XLogP37.49
TPSA450.33 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds42
Heavy Atoms253
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003605.60
LogP ≤ 537.49
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze bis(6-bromohexa-2,4-diyn-1-ol);(1R,2S)-1-[4-(6-bromohexa-2,4-diynoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene;tert-butyl (4S)-5-amino-4-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-1H-isoindol-2-yl]pentanoate;dichloromethane;(3S)-3-[6-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diyn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(6-bromohexa-2,4-diyn-1-ol);(1R,2S)-1-[4-(6-bromohexa-2,4-diynoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene;tert-butyl (4S)-5-amino-4-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-1H-isoindol-2-yl]pentanoate;dichloromethane;(3S)-3-[6-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diyn-1-ol?
The IUPAC name of bis(6-bromohexa-2,4-diyn-1-ol);(1R,2S)-1-[4-(6-bromohexa-2,4-diynoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene;tert-butyl (4S)-5-amino-4-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-1H-isoindol-2-yl]pentanoate;dichloromethane;(3S)-3-[6-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diyn-1-ol (CID 160538899) is bis(6-bromohexa-2,4-diyn-1-ol);(1R,2S)-1-[4-(6-bromohexa-2,4-diynoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene;tert-butyl (4S)-5-amino-4-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-1H-isoindol-2-yl]pentanoate;dichloromethane;(3S)-3-[6-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diyn-1-ol.
What is the SMILES notation for bis(6-bromohexa-2,4-diyn-1-ol);(1R,2S)-1-[4-(6-bromohexa-2,4-diynoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene;tert-butyl (4S)-5-amino-4-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-1H-isoindol-2-yl]pentanoate;dichloromethane;(3S)-3-[6-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diyn-1-ol?
The canonical SMILES for bis(6-bromohexa-2,4-diyn-1-ol);(1R,2S)-1-[4-(6-bromohexa-2,4-diynoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene;tert-butyl (4S)-5-amino-4-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-1H-isoindol-2-yl]pentanoate;dichloromethane;(3S)-3-[6-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diyn-1-ol is BrCC#CC#CCOc1ccc([C@@H]2c3ccc(OCc4ccccc4)cc3CC[C@@H]2c2ccccc2)cc1.CC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2cc(O)ccc2C1=O.CC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2cc(OCC#CC#CCOc3ccc([C@@H]4c5ccc(OCc6ccccc6)cc5CC[C@@H]4c4ccccc4)cc3)ccc2C1=O.Cc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(O)cc1.ClCCl.O=C1CC[C@H](N2Cc3cc(OCC#CC#CCOc4ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc4)ccc3C2=O)C(=O)N1.OCC#CC#CCBr.OCC#CC#CCBr.OCC#CC#CCOc1ccc([C@@H]2c3ccc(OCc4ccccc4)cc3CC[C@@H]2c2ccccc2)cc1.
What is the InChIKey of bis(6-bromohexa-2,4-diyn-1-ol);(1R,2S)-1-[4-(6-bromohexa-2,4-diynoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene;tert-butyl (4S)-5-amino-4-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-1H-isoindol-2-yl]pentanoate;dichloromethane;(3S)-3-[6-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diyn-1-ol?
The InChIKey is QWNAMDISPASEDB-HAPYMWQLSA-N. The full InChI is InChI=1S/C52H50N2O7.C41H34N2O6.C35H29BrO2.C35H30O3.C23H22O.C17H22N2O5.2C6H5BrO.CH2Cl2/c1-52(2,3)61-48(55)29-28-47(50(53)56)54-34-40-33-42(24-27-46(40)51(54)57)59-31-13-5-4-12-30-58-41-21-18-38(19-22-41)49-44(37-16-10-7-11-17-37)25-20-39-32-43(23-26-45(39)49)60-35-36-14-8-6-9-15-36;44-31-13-18-35-29(24-31)12-17-34(27-8-4-3-5-9-27)39(35)28-10-14-32(15-11-28)48-22-6-1-2-7-23-49-33-16-19-36-30(25-33)26-43(41(36)47)37-20-21-38(45)42-40(37)46;2*36-23-9-1-2-10-24-37-31-18-15-29(16-19-31)35-33(28-13-7-4-8-14-28)21-17-30-25-32(20-22-34(30)35)38-26-27-11-5-3-6-12-27;1-16-7-13-22-19(15-16)10-14-21(17-5-3-2-4-6-17)23(22)18-8-11-20(24)12-9-18;1-17(2,3)24-14(21)7-6-13(15(18)22)19-9-10-8-11(20)4-5-12(10)16(19)23;2*7-5-3-1-2-4-6-8;2-1-3/h6-11,14-19,21-24,26-27,32-33,44,47,49H,20,25,28-31,34-35H2,1-3H3,(H2,53,56);3-5,8-11,13-16,18-19,24-25,34,37,39,44H,12,17,20-23,26H2,(H,42,45,46);3-8,11-16,18-20,22,25,33,35H,17,21,23-24,26H2;3-8,11-16,18-20,22,25,33,35-36H,17,21,23-24,26H2;2-9,11-13,15,21,23-24H,10,14H2,1H3;4-5,8,13,20H,6-7,9H2,1-3H3,(H2,18,22);2*8H,5-6H2;1H2/t44-,47+,49+;34-,37+,39+;2*33-,35+;21-,23+;13-;;;/m111110.../s1.
What are the key properties of bis(6-bromohexa-2,4-diyn-1-ol);(1R,2S)-1-[4-(6-bromohexa-2,4-diynoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene;tert-butyl (4S)-5-amino-4-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-1H-isoindol-2-yl]pentanoate;dichloromethane;(3S)-3-[6-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diyn-1-ol?
bis(6-bromohexa-2,4-diyn-1-ol);(1R,2S)-1-[4-(6-bromohexa-2,4-diynoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene;tert-butyl (4S)-5-amino-4-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-1H-isoindol-2-yl]pentanoate;dichloromethane;(3S)-3-[6-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diyn-1-ol has a molecular weight of 3605.60 g/mol, XLogP of 37.49, 42 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-bromohexa-2,4-diyn-1-ol);(1R,2S)-1-[4-(6-bromohexa-2,4-diynoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene;tert-butyl (4S)-5-amino-4-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-1H-isoindol-2-yl]pentanoate;dichloromethane;(3S)-3-[6-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diynoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexa-2,4-diyn-1-ol is sourced from PubChem (CID 160538899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).