6-bromo-4-hydroxynaphthalene-1-carbaldehyde;7-bromonaphthalen-1-ol;(3S)-4-[[6-[3-[3-[[4-[[[(2S)-3-carboxy-2-hydroxypropyl]amino]methyl]-2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-chloronaphthalen-1-yl]methylamino]-3-hydroxybutanoic acid;5-[[4-chloro-5-[[3-[3-(8-chloro-5-formylnaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;[7-[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-formylnaphthalen-1-yl] trifluoromethanesulfonate;5-[[4-chloro-2-formyl-5-[[3-[3-(5-formyl-8-hydroxynaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-2-(hydroxymethyl)-5-[[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile

C225H181BBr2Cl7F3N12O32S — CID 160935952

About 6-bromo-4-hydroxynaphthalene-1-carbaldehyde;7-bromonaphthalen-1-ol;(3S)-4-[[6-[3-[3-[[4-[[[(2S)-3-carboxy-2-hydroxypropyl]amino]methyl]-2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-chloronaphthalen-1-yl]methylamino]-3-hydroxybutanoic acid;5-[[4-chloro-5-[[3-[3-(8-chloro-5-formylnaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;[7-[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-formylnaphthalen-1-yl] trifluoromethanesulfonate;5-[[4-chloro-2-formyl-5-[[3-[3-(5-formyl-8-hydroxynaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-2-(hydroxymethyl)-5-[[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile

6-bromo-4-hydroxynaphthalene-1-carbaldehyde;7-bromonaphthalen-1-ol;(3S)-4-[[6-[3-[3-[[4-[[[(2S)-3-carboxy-2-hydroxypropyl]amino]methyl]-2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-chloronaphthalen-1-yl]methylamino]-3-hydroxybutanoic acid;5-[[4-chloro-5-[[3-[3-(8-chloro-5-formylnaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;[7-[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-formylnaphthalen-1-yl] trifluoromethanesulfonate;5-[[4-chloro-2-formyl-5-[[3-[3-(5-formyl-8-hydroxynaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-2-(hydroxymethyl)-5-[[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile (PubChem CID 160935952) has the molecular formula C225H181BBr2Cl7F3N12O32S and a molecular weight of 4072.83 g/mol. Its IUPAC name is 6-bromo-4-hydroxynaphthalene-1-carbaldehyde;7-bromonaphthalen-1-ol;(3S)-4-[[6-[3-[3-[[4-[[[(2S)-3-carboxy-2-hydroxypropyl]amino]methyl]-2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-chloronaphthalen-1-yl]methylamino]-3-hydroxybutanoic acid;5-[[4-chloro-5-[[3-[3-(8-chloro-5-formylnaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;[7-[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-formylnaphthalen-1-yl] trifluoromethanesulfonate;5-[[4-chloro-2-formyl-5-[[3-[3-(5-formyl-8-hydroxynaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-2-(hydroxymethyl)-5-[[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-bromo-4-hydroxynaphthalene-1-carbaldehyde;7-bromonaphthalen-1-ol;(3S)-4-[[6-[3-[3-[[4-[[[(2S)-3-carboxy-2-hydroxypropyl]amino]methyl]-2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-chloronaphthalen-1-yl]methylamino]-3-hydroxybutanoic acid;5-[[4-chloro-5-[[3-[3-(8-chloro-5-formylnaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;[7-[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-formylnaphthalen-1-yl] trifluoromethanesulfonate;5-[[4-chloro-2-formyl-5-[[3-[3-(5-formyl-8-hydroxynaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-2-(hydroxymethyl)-5-[[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile
• PubChem CID: 160935952
• Molecular Formula: C225H181BBr2Cl7F3N12O32S
• Molecular Weight: 4072.83 g/mol
• Exact Mass: 4064.89
• IUPAC Name: 6-bromo-4-hydroxynaphthalene-1-carbaldehyde;7-bromonaphthalen-1-ol;(3S)-4-[[6-[3-[3-[[4-[[[(2S)-3-carboxy-2-hydroxypropyl]amino]methyl]-2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-chloronaphthalen-1-yl]methylamino]-3-hydroxybutanoic acid;5-[[4-chloro-5-[[3-[3-(8-chloro-5-formylnaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;[7-[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-formylnaphthalen-1-yl] trifluoromethanesulfonate;5-[[4-chloro-2-formyl-5-[[3-[3-(5-formyl-8-hydroxynaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-2-(hydroxymethyl)-5-[[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile
• SMILES: Cc1c(COc2cc(OCc3cncc(C#N)c3)c(C=O)cc2Cl)cccc1-c1cccc(-c2ccc3c(C=O)ccc(Cl)c3c2)c1C.Cc1c(COc2cc(OCc3cncc(C#N)c3)c(C=O)cc2Cl)cccc1-c1cccc(-c2ccc3c(C=O)ccc(O)c3c2)c1C.Cc1c(COc2cc(OCc3cncc(C#N)c3)c(C=O)cc2Cl)cccc1-c1cccc(-c2ccc3c(C=O)ccc(OS(=O)(=O)C(F)(F)F)c3c2)c1C.Cc1c(COc2cc(OCc3cncc(C#N)c3)c(CNC[C@@H](O)CC(=O)O)cc2Cl)cccc1-c1cccc(-c2ccc3c(CNC[C@@H](O)CC(=O)O)ccc(Cl)c3c2)c1C.Cc1c(COc2cc(OCc3cncc(C#N)c3)c(CO)cc2Cl)cccc1-c1cccc(B2OC(C)(C)C(C)(C)O2)c1C.O=Cc1ccc(O)c2cc(Br)ccc12.Oc1cccc2ccc(Br)cc12
• InChI: InChI=1S/C48H46Cl2N4O8.C41H28ClF3N2O7S.C40H28Cl2N2O4.C40H29ClN2O5.C35H36BClN2O5.C11H7BrO2.C10H7BrO/c1-28-34(27-62-46-18-45(61-26-31-13-30(19-51)20-52-21-31)35(15-44(46)50)23-54-25-37(56)17-48(59)60)5-3-7-39(28)40-8-4-6-38(29(40)2)32-9-11-41-33(10-12-43(49)42(41)14-32)22-53-24-36(55)16-47(57)58;1-24-30(23-53-40-16-39(31(21-49)15-37(40)42)52-22-27-13-26(17-46)18-47-19-27)5-3-7-33(24)34-8-4-6-32(25(34)2)28-9-11-35-29(20-48)10-12-38(36(35)14-28)54-55(50,51)41(43,44)45;1-24-30(23-48-40-16-39(31(21-46)15-38(40)42)47-22-27-13-26(17-43)18-44-19-27)5-3-7-33(24)34-8-4-6-32(25(34)2)28-9-11-35-29(20-45)10-12-37(41)36(35)14-28;1-24-30(23-48-40-16-39(31(21-45)15-37(40)41)47-22-27-13-26(17-42)18-43-19-27)5-3-7-33(24)34-8-4-6-32(25(34)2)28-9-11-35-29(20-44)10-12-38(46)36(35)14-28;1-22-26(9-7-10-28(22)29-11-8-12-30(23(29)2)36-43-34(3,4)35(5,6)44-36)21-42-33-15-32(27(19-40)14-31(33)37)41-20-25-13-24(16-38)17-39-18-25;12-8-2-3-9-7(6-13)1-4-11(14)10(9)5-8;11-8-5-4-7-2-1-3-10(12)9(7)6-8/h3-15,18,20-21,36-37,53-56H,16-17,22-27H2,1-2H3,(H,57,58)(H,59,60);3-16,18-21H,22-23H2,1-2H3;3-16,18-21H,22-23H2,1-2H3;3-16,18-21,46H,22-23H2,1-2H3;7-15,17-18,40H,19-21H2,1-6H3;1-6,14H;1-6,12H/t36-,37-;;;;;;/m0....../s1
• InChIKey: STWKDEOBGPOOHN-BOAFUXCTSA-N
• XLogP: 50.71
• TPSA: 677.06 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 62
• Heavy Atoms: 283
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4072.83
LogP ≤ 5	50.71
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-hydroxynaphthalene-1-carbaldehyde;7-bromonaphthalen-1-ol;(3S)-4-[[6-[3-[3-[[4-[[[(2S)-3-carboxy-2-hydroxypropyl]amino]methyl]-2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-chloronaphthalen-1-yl]methylamino]-3-hydroxybutanoic acid;5-[[4-chloro-5-[[3-[3-(8-chloro-5-formylnaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;[7-[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-formylnaphthalen-1-yl] trifluoromethanesulfonate;5-[[4-chloro-2-formyl-5-[[3-[3-(5-formyl-8-hydroxynaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-2-(hydroxymethyl)-5-[[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile?

The IUPAC name of 6-bromo-4-hydroxynaphthalene-1-carbaldehyde;7-bromonaphthalen-1-ol;(3S)-4-[[6-[3-[3-[[4-[[[(2S)-3-carboxy-2-hydroxypropyl]amino]methyl]-2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-chloronaphthalen-1-yl]methylamino]-3-hydroxybutanoic acid;5-[[4-chloro-5-[[3-[3-(8-chloro-5-formylnaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;[7-[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-formylnaphthalen-1-yl] trifluoromethanesulfonate;5-[[4-chloro-2-formyl-5-[[3-[3-(5-formyl-8-hydroxynaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-2-(hydroxymethyl)-5-[[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile (CID 160935952) is 6-bromo-4-hydroxynaphthalene-1-carbaldehyde;7-bromonaphthalen-1-ol;(3S)-4-[[6-[3-[3-[[4-[[[(2S)-3-carboxy-2-hydroxypropyl]amino]methyl]-2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-chloronaphthalen-1-yl]methylamino]-3-hydroxybutanoic acid;5-[[4-chloro-5-[[3-[3-(8-chloro-5-formylnaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;[7-[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-formylnaphthalen-1-yl] trifluoromethanesulfonate;5-[[4-chloro-2-formyl-5-[[3-[3-(5-formyl-8-hydroxynaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-2-(hydroxymethyl)-5-[[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile.

What is the SMILES notation for 6-bromo-4-hydroxynaphthalene-1-carbaldehyde;7-bromonaphthalen-1-ol;(3S)-4-[[6-[3-[3-[[4-[[[(2S)-3-carboxy-2-hydroxypropyl]amino]methyl]-2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-chloronaphthalen-1-yl]methylamino]-3-hydroxybutanoic acid;5-[[4-chloro-5-[[3-[3-(8-chloro-5-formylnaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;[7-[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-formylnaphthalen-1-yl] trifluoromethanesulfonate;5-[[4-chloro-2-formyl-5-[[3-[3-(5-formyl-8-hydroxynaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-2-(hydroxymethyl)-5-[[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile?

The canonical SMILES for 6-bromo-4-hydroxynaphthalene-1-carbaldehyde;7-bromonaphthalen-1-ol;(3S)-4-[[6-[3-[3-[[4-[[[(2S)-3-carboxy-2-hydroxypropyl]amino]methyl]-2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-chloronaphthalen-1-yl]methylamino]-3-hydroxybutanoic acid;5-[[4-chloro-5-[[3-[3-(8-chloro-5-formylnaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;[7-[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-formylnaphthalen-1-yl] trifluoromethanesulfonate;5-[[4-chloro-2-formyl-5-[[3-[3-(5-formyl-8-hydroxynaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-2-(hydroxymethyl)-5-[[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile is Cc1c(COc2cc(OCc3cncc(C#N)c3)c(C=O)cc2Cl)cccc1-c1cccc(-c2ccc3c(C=O)ccc(Cl)c3c2)c1C.Cc1c(COc2cc(OCc3cncc(C#N)c3)c(C=O)cc2Cl)cccc1-c1cccc(-c2ccc3c(C=O)ccc(O)c3c2)c1C.Cc1c(COc2cc(OCc3cncc(C#N)c3)c(C=O)cc2Cl)cccc1-c1cccc(-c2ccc3c(C=O)ccc(OS(=O)(=O)C(F)(F)F)c3c2)c1C.Cc1c(COc2cc(OCc3cncc(C#N)c3)c(CNC[C@@H](O)CC(=O)O)cc2Cl)cccc1-c1cccc(-c2ccc3c(CNC[C@@H](O)CC(=O)O)ccc(Cl)c3c2)c1C.Cc1c(COc2cc(OCc3cncc(C#N)c3)c(CO)cc2Cl)cccc1-c1cccc(B2OC(C)(C)C(C)(C)O2)c1C.O=Cc1ccc(O)c2cc(Br)ccc12.Oc1cccc2ccc(Br)cc12.

What is the InChIKey of 6-bromo-4-hydroxynaphthalene-1-carbaldehyde;7-bromonaphthalen-1-ol;(3S)-4-[[6-[3-[3-[[4-[[[(2S)-3-carboxy-2-hydroxypropyl]amino]methyl]-2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-chloronaphthalen-1-yl]methylamino]-3-hydroxybutanoic acid;5-[[4-chloro-5-[[3-[3-(8-chloro-5-formylnaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;[7-[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-formylnaphthalen-1-yl] trifluoromethanesulfonate;5-[[4-chloro-2-formyl-5-[[3-[3-(5-formyl-8-hydroxynaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-2-(hydroxymethyl)-5-[[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile?

The InChIKey is STWKDEOBGPOOHN-BOAFUXCTSA-N. The full InChI is InChI=1S/C48H46Cl2N4O8.C41H28ClF3N2O7S.C40H28Cl2N2O4.C40H29ClN2O5.C35H36BClN2O5.C11H7BrO2.C10H7BrO/c1-28-34(27-62-46-18-45(61-26-31-13-30(19-51)20-52-21-31)35(15-44(46)50)23-54-25-37(56)17-48(59)60)5-3-7-39(28)40-8-4-6-38(29(40)2)32-9-11-41-33(10-12-43(49)42(41)14-32)22-53-24-36(55)16-47(57)58;1-24-30(23-53-40-16-39(31(21-49)15-37(40)42)52-22-27-13-26(17-46)18-47-19-27)5-3-7-33(24)34-8-4-6-32(25(34)2)28-9-11-35-29(20-48)10-12-38(36(35)14-28)54-55(50,51)41(43,44)45;1-24-30(23-48-40-16-39(31(21-46)15-38(40)42)47-22-27-13-26(17-43)18-44-19-27)5-3-7-33(24)34-8-4-6-32(25(34)2)28-9-11-35-29(20-45)10-12-37(41)36(35)14-28;1-24-30(23-48-40-16-39(31(21-45)15-37(40)41)47-22-27-13-26(17-42)18-43-19-27)5-3-7-33(24)34-8-4-6-32(25(34)2)28-9-11-35-29(20-44)10-12-38(46)36(35)14-28;1-22-26(9-7-10-28(22)29-11-8-12-30(23(29)2)36-43-34(3,4)35(5,6)44-36)21-42-33-15-32(27(19-40)14-31(33)37)41-20-25-13-24(16-38)17-39-18-25;12-8-2-3-9-7(6-13)1-4-11(14)10(9)5-8;11-8-5-4-7-2-1-3-10(12)9(7)6-8/h3-15,18,20-21,36-37,53-56H,16-17,22-27H2,1-2H3,(H,57,58)(H,59,60);3-16,18-21H,22-23H2,1-2H3;3-16,18-21H,22-23H2,1-2H3;3-16,18-21,46H,22-23H2,1-2H3;7-15,17-18,40H,19-21H2,1-6H3;1-6,14H;1-6,12H/t36-,37-;;;;;;/m0....../s1.

What are the key properties of 6-bromo-4-hydroxynaphthalene-1-carbaldehyde;7-bromonaphthalen-1-ol;(3S)-4-[[6-[3-[3-[[4-[[[(2S)-3-carboxy-2-hydroxypropyl]amino]methyl]-2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-chloronaphthalen-1-yl]methylamino]-3-hydroxybutanoic acid;5-[[4-chloro-5-[[3-[3-(8-chloro-5-formylnaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;[7-[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-formylnaphthalen-1-yl] trifluoromethanesulfonate;5-[[4-chloro-2-formyl-5-[[3-[3-(5-formyl-8-hydroxynaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-2-(hydroxymethyl)-5-[[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile?

6-bromo-4-hydroxynaphthalene-1-carbaldehyde;7-bromonaphthalen-1-ol;(3S)-4-[[6-[3-[3-[[4-[[[(2S)-3-carboxy-2-hydroxypropyl]amino]methyl]-2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-chloronaphthalen-1-yl]methylamino]-3-hydroxybutanoic acid;5-[[4-chloro-5-[[3-[3-(8-chloro-5-formylnaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;[7-[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-formylnaphthalen-1-yl] trifluoromethanesulfonate;5-[[4-chloro-2-formyl-5-[[3-[3-(5-formyl-8-hydroxynaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-2-(hydroxymethyl)-5-[[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile has a molecular weight of 4072.83 g/mol, XLogP of 50.71, 62 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-hydroxynaphthalene-1-carbaldehyde;7-bromonaphthalen-1-ol;(3S)-4-[[6-[3-[3-[[4-[[[(2S)-3-carboxy-2-hydroxypropyl]amino]methyl]-2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-chloronaphthalen-1-yl]methylamino]-3-hydroxybutanoic acid;5-[[4-chloro-5-[[3-[3-(8-chloro-5-formylnaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;[7-[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-4-formylnaphthalen-1-yl] trifluoromethanesulfonate;5-[[4-chloro-2-formyl-5-[[3-[3-(5-formyl-8-hydroxynaphthalen-2-yl)-2-methylphenyl]-2-methylphenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-2-(hydroxymethyl)-5-[[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 160935952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).