5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-diethoxyphosphorylpropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(5-diethoxyphosphorylpentyl)phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[5-chloro-4-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-phosphonopropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxyphenyl]pentylphosphonic acid

C147H150Cl6N12O26P4 — CID 161277376

About 5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-diethoxyphosphorylpropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(5-diethoxyphosphorylpentyl)phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[5-chloro-4-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-phosphonopropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxyphenyl]pentylphosphonic acid

5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-diethoxyphosphorylpropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(5-diethoxyphosphorylpentyl)phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[5-chloro-4-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-phosphonopropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxyphenyl]pentylphosphonic acid (PubChem CID 161277376) has the molecular formula C147H150Cl6N12O26P4 and a molecular weight of 2837.49 g/mol. Its IUPAC name is 5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-diethoxyphosphorylpropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(5-diethoxyphosphorylpentyl)phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[5-chloro-4-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-phosphonopropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxyphenyl]pentylphosphonic acid.

Molecular Properties

• Compound Name: 5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-diethoxyphosphorylpropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(5-diethoxyphosphorylpentyl)phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[5-chloro-4-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-phosphonopropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxyphenyl]pentylphosphonic acid
• PubChem CID: 161277376
• Molecular Formula: C147H150Cl6N12O26P4
• Molecular Weight: 2837.49 g/mol
• Exact Mass: 2832.79
• IUPAC Name: 5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-diethoxyphosphorylpropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(5-diethoxyphosphorylpentyl)phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[5-chloro-4-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-phosphonopropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxyphenyl]pentylphosphonic acid
• SMILES: CCOP(=O)(CCCCCc1cc(Cl)c(OCc2cccc(-c3cccc(COc4cc(OCc5cncc(C#N)c5)c(CNCCCP(=O)(OCC)OCC)cc4Cl)c3C)c2C)cc1OCc1cncc(C#N)c1)OCC.Cc1c(COc2cc(O)c(CCCCCP(=O)(O)O)cc2Cl)cccc1-c1cccc(COc2cc(OCc3cncc(C#N)c3)c(CNCCCP(=O)(O)O)cc2Cl)c1C.Cc1c(COc2cc(OCc3cncc(C#N)c3)c(C=O)cc2Cl)cccc1-c1cccc(COc2cc(OCc3cncc(C#N)c3)c(C=O)cc2Cl)c1C
• InChI: InChI=1S/C59H69Cl2N5O10P2.C44H32Cl2N4O6.C44H49Cl2N3O10P2/c1-7-73-77(67,74-8-2)23-13-11-12-17-48-27-54(60)58(29-56(48)69-38-46-25-44(31-62)33-65-35-46)71-40-49-18-14-20-52(42(49)5)53-21-15-19-50(43(53)6)41-72-59-30-57(70-39-47-26-45(32-63)34-66-36-47)51(28-55(59)61)37-64-22-16-24-78(68,75-9-3)76-10-4;1-27-33(25-55-43-13-41(35(21-51)11-39(43)45)53-23-31-9-29(15-47)17-49-19-31)5-3-7-37(27)38-8-4-6-34(28(38)2)26-56-44-14-42(36(22-52)12-40(44)46)54-24-32-10-30(16-48)18-50-20-32;1-29-34(27-58-43-20-41(50)33(18-39(43)45)9-4-3-5-15-60(51,52)53)10-6-12-37(29)38-13-7-11-35(30(38)2)28-59-44-21-42(57-26-32-17-31(22-47)23-49-24-32)36(19-40(44)46)25-48-14-8-16-61(54,55)56/h14-15,18-21,25-30,33-36,64H,7-13,16-17,22-24,37-41H2,1-6H3;3-14,17-22H,23-26H2,1-2H3;6-7,10-13,17-21,23-24,48,50H,3-5,8-9,14-16,25-28H2,1-2H3,(H2,51,52,53)(H2,54,55,56)
• InChIKey: VEPRZKWMOVPZKN-UHFFFAOYSA-N
• XLogP: 34.14
• TPSA: 549.48 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 70
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2837.49
LogP ≤ 5	34.14
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-diethoxyphosphorylpropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(5-diethoxyphosphorylpentyl)phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[5-chloro-4-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-phosphonopropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxyphenyl]pentylphosphonic acid?

The IUPAC name of 5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-diethoxyphosphorylpropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(5-diethoxyphosphorylpentyl)phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[5-chloro-4-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-phosphonopropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxyphenyl]pentylphosphonic acid (CID 161277376) is 5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-diethoxyphosphorylpropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(5-diethoxyphosphorylpentyl)phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[5-chloro-4-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-phosphonopropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxyphenyl]pentylphosphonic acid.

What is the SMILES notation for 5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-diethoxyphosphorylpropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(5-diethoxyphosphorylpentyl)phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[5-chloro-4-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-phosphonopropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxyphenyl]pentylphosphonic acid?

The canonical SMILES for 5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-diethoxyphosphorylpropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(5-diethoxyphosphorylpentyl)phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[5-chloro-4-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-phosphonopropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxyphenyl]pentylphosphonic acid is CCOP(=O)(CCCCCc1cc(Cl)c(OCc2cccc(-c3cccc(COc4cc(OCc5cncc(C#N)c5)c(CNCCCP(=O)(OCC)OCC)cc4Cl)c3C)c2C)cc1OCc1cncc(C#N)c1)OCC.Cc1c(COc2cc(O)c(CCCCCP(=O)(O)O)cc2Cl)cccc1-c1cccc(COc2cc(OCc3cncc(C#N)c3)c(CNCCCP(=O)(O)O)cc2Cl)c1C.Cc1c(COc2cc(OCc3cncc(C#N)c3)c(C=O)cc2Cl)cccc1-c1cccc(COc2cc(OCc3cncc(C#N)c3)c(C=O)cc2Cl)c1C.

What is the InChIKey of 5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-diethoxyphosphorylpropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(5-diethoxyphosphorylpentyl)phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[5-chloro-4-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-phosphonopropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxyphenyl]pentylphosphonic acid?

The InChIKey is VEPRZKWMOVPZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H69Cl2N5O10P2.C44H32Cl2N4O6.C44H49Cl2N3O10P2/c1-7-73-77(67,74-8-2)23-13-11-12-17-48-27-54(60)58(29-56(48)69-38-46-25-44(31-62)33-65-35-46)71-40-49-18-14-20-52(42(49)5)53-21-15-19-50(43(53)6)41-72-59-30-57(70-39-47-26-45(32-63)34-66-36-47)51(28-55(59)61)37-64-22-16-24-78(68,75-9-3)76-10-4;1-27-33(25-55-43-13-41(35(21-51)11-39(43)45)53-23-31-9-29(15-47)17-49-19-31)5-3-7-37(27)38-8-4-6-34(28(38)2)26-56-44-14-42(36(22-52)12-40(44)46)54-24-32-10-30(16-48)18-50-20-32;1-29-34(27-58-43-20-41(50)33(18-39(43)45)9-4-3-5-15-60(51,52)53)10-6-12-37(29)38-13-7-11-35(30(38)2)28-59-44-21-42(57-26-32-17-31(22-47)23-49-24-32)36(19-40(44)46)25-48-14-8-16-61(54,55)56/h14-15,18-21,25-30,33-36,64H,7-13,16-17,22-24,37-41H2,1-6H3;3-14,17-22H,23-26H2,1-2H3;6-7,10-13,17-21,23-24,48,50H,3-5,8-9,14-16,25-28H2,1-2H3,(H2,51,52,53)(H2,54,55,56).

What are the key properties of 5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-diethoxyphosphorylpropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(5-diethoxyphosphorylpentyl)phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[5-chloro-4-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-phosphonopropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxyphenyl]pentylphosphonic acid?

5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-diethoxyphosphorylpropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(5-diethoxyphosphorylpentyl)phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[5-chloro-4-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-phosphonopropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxyphenyl]pentylphosphonic acid has a molecular weight of 2837.49 g/mol, XLogP of 34.14, 70 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-diethoxyphosphorylpropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(5-diethoxyphosphorylpentyl)phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[5-chloro-4-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-[(3-phosphonopropylamino)methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxyphenyl]pentylphosphonic acid is sourced from PubChem (CID 161277376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).