diethoxy-[(2-ethoxyphenyl)methyl]phosphane;diethoxy-[(4-methylphenyl)methyl]phosphane;N-[4-[4-(N-[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;4-(N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)benzaldehyde;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;dihydrate

C160H160N6O10P2 — CID 161015064

IUPACdiethoxy-[(2-ethoxyphenyl)methyl]phosphane;diethoxy-[(4-methylphenyl)methyl]phosphane;N-[4-[4-(N-[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;4-(N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)benzaldehyde;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;dihydrate
SMILESCCOP(Cc1ccc(C)cc1)OCC.CCOc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc(-c4ccc(N(c5ccc(C)cc5)c5ccc(/C=C/c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.CCOc1ccccc1CP(OCC)OCC.COc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C=O)cc4)cc3)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc2)cc1.O.O
InChIInChI=1S/C57H50N2O.C40H34N2O2.C38H32N2.C13H21O3P.C12H19O2P.2H2O/c1-5-60-57-40-22-48(23-41-57)17-16-47-20-34-54(35-21-47)59(52-30-10-44(4)11-31-52)56-38-26-50(27-39-56)49-24-36-55(37-25-49)58(51-28-8-43(3)9-29-51)53-32-18-46(19-33-53)15-14-45-12-6-42(2)7-13-45;1-29-4-14-34(15-5-29)41(36-18-8-31(28-43)9-19-36)37-20-10-32(11-21-37)33-12-22-38(23-13-33)42(35-16-6-30(2)7-17-35)39-24-26-40(44-3)27-25-39;1-29-13-21-35(22-14-29)39(33-9-5-3-6-10-33)37-25-17-31(18-26-37)32-19-27-38(28-20-32)40(34-11-7-4-8-12-34)36-23-15-30(2)16-24-36;1-4-14-13-10-8-7-9-12(13)11-17(15-5-2)16-6-3;1-4-13-15(14-5-2)10-12-8-6-11(3)7-9-12;;/h6-41H,5H2,1-4H3;4-28H,1-3H3;3-28H,1-2H3;7-10H,4-6,11H2,1-3H3;6-9H,4-5,10H2,1-3H3;2*1H2/b15-14+,17-16+;;;;;;
InChIKeyFRBNPGOBFKJPOU-HWKNMGQPSA-N
MW2389.02 g/mol
LogP43.80
Rot. Bonds43

About diethoxy-[(2-ethoxyphenyl)methyl]phosphane;diethoxy-[(4-methylphenyl)methyl]phosphane;N-[4-[4-(N-[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;4-(N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)benzaldehyde;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;dihydrate

diethoxy-[(2-ethoxyphenyl)methyl]phosphane;diethoxy-[(4-methylphenyl)methyl]phosphane;N-[4-[4-(N-[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;4-(N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)benzaldehyde;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;dihydrate (PubChem CID 161015064) has the molecular formula C160H160N6O10P2 and a molecular weight of 2389.02 g/mol. Its IUPAC name is diethoxy-[(2-ethoxyphenyl)methyl]phosphane;diethoxy-[(4-methylphenyl)methyl]phosphane;N-[4-[4-(N-[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;4-(N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)benzaldehyde;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;dihydrate.

Molecular Properties

Compound Namediethoxy-[(2-ethoxyphenyl)methyl]phosphane;diethoxy-[(4-methylphenyl)methyl]phosphane;N-[4-[4-(N-[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;4-(N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)benzaldehyde;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;dihydrate
PubChem CID161015064
Molecular FormulaC160H160N6O10P2
Molecular Weight2389.02 g/mol
Exact Mass2387.17
IUPAC Namediethoxy-[(2-ethoxyphenyl)methyl]phosphane;diethoxy-[(4-methylphenyl)methyl]phosphane;N-[4-[4-(N-[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;4-(N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)benzaldehyde;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;dihydrate
SMILESCCOP(Cc1ccc(C)cc1)OCC.CCOc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc(-c4ccc(N(c5ccc(C)cc5)c5ccc(/C=C/c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.CCOc1ccccc1CP(OCC)OCC.COc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C=O)cc4)cc3)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc2)cc1.O.O
InChIInChI=1S/C57H50N2O.C40H34N2O2.C38H32N2.C13H21O3P.C12H19O2P.2H2O/c1-5-60-57-40-22-48(23-41-57)17-16-47-20-34-54(35-21-47)59(52-30-10-44(4)11-31-52)56-38-26-50(27-39-56)49-24-36-55(37-25-49)58(51-28-8-43(3)9-29-51)53-32-18-46(19-33-53)15-14-45-12-6-42(2)7-13-45;1-29-4-14-34(15-5-29)41(36-18-8-31(28-43)9-19-36)37-20-10-32(11-21-37)33-12-22-38(23-13-33)42(35-16-6-30(2)7-17-35)39-24-26-40(44-3)27-25-39;1-29-13-21-35(22-14-29)39(33-9-5-3-6-10-33)37-25-17-31(18-26-37)32-19-27-38(28-20-32)40(34-11-7-4-8-12-34)36-23-15-30(2)16-24-36;1-4-14-13-10-8-7-9-12(13)11-17(15-5-2)16-6-3;1-4-13-15(14-5-2)10-12-8-6-11(3)7-9-12;;/h6-41H,5H2,1-4H3;4-28H,1-3H3;3-28H,1-2H3;7-10H,4-6,11H2,1-3H3;6-9H,4-5,10H2,1-3H3;2*1H2/b15-14+,17-16+;;;;;;
InChIKeyFRBNPGOBFKJPOU-HWKNMGQPSA-N
XLogP43.80
TPSA164.12 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds43
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002389.02
LogP ≤ 543.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze diethoxy-[(2-ethoxyphenyl)methyl]phosphane;diethoxy-[(4-methylphenyl)methyl]phosphane;N-[4-[4-(N-[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;4-(N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)benzaldehyde;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;dihydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of diethoxy-[(2-ethoxyphenyl)methyl]phosphane;diethoxy-[(4-methylphenyl)methyl]phosphane;N-[4-[4-(N-[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;4-(N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)benzaldehyde;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;dihydrate?
The IUPAC name of diethoxy-[(2-ethoxyphenyl)methyl]phosphane;diethoxy-[(4-methylphenyl)methyl]phosphane;N-[4-[4-(N-[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;4-(N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)benzaldehyde;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;dihydrate (CID 161015064) is diethoxy-[(2-ethoxyphenyl)methyl]phosphane;diethoxy-[(4-methylphenyl)methyl]phosphane;N-[4-[4-(N-[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;4-(N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)benzaldehyde;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;dihydrate.
What is the SMILES notation for diethoxy-[(2-ethoxyphenyl)methyl]phosphane;diethoxy-[(4-methylphenyl)methyl]phosphane;N-[4-[4-(N-[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;4-(N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)benzaldehyde;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;dihydrate?
The canonical SMILES for diethoxy-[(2-ethoxyphenyl)methyl]phosphane;diethoxy-[(4-methylphenyl)methyl]phosphane;N-[4-[4-(N-[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;4-(N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)benzaldehyde;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;dihydrate is CCOP(Cc1ccc(C)cc1)OCC.CCOc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc(-c4ccc(N(c5ccc(C)cc5)c5ccc(/C=C/c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.CCOc1ccccc1CP(OCC)OCC.COc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C=O)cc4)cc3)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc2)cc1.O.O.
What is the InChIKey of diethoxy-[(2-ethoxyphenyl)methyl]phosphane;diethoxy-[(4-methylphenyl)methyl]phosphane;N-[4-[4-(N-[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;4-(N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)benzaldehyde;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;dihydrate?
The InChIKey is FRBNPGOBFKJPOU-HWKNMGQPSA-N. The full InChI is InChI=1S/C57H50N2O.C40H34N2O2.C38H32N2.C13H21O3P.C12H19O2P.2H2O/c1-5-60-57-40-22-48(23-41-57)17-16-47-20-34-54(35-21-47)59(52-30-10-44(4)11-31-52)56-38-26-50(27-39-56)49-24-36-55(37-25-49)58(51-28-8-43(3)9-29-51)53-32-18-46(19-33-53)15-14-45-12-6-42(2)7-13-45;1-29-4-14-34(15-5-29)41(36-18-8-31(28-43)9-19-36)37-20-10-32(11-21-37)33-12-22-38(23-13-33)42(35-16-6-30(2)7-17-35)39-24-26-40(44-3)27-25-39;1-29-13-21-35(22-14-29)39(33-9-5-3-6-10-33)37-25-17-31(18-26-37)32-19-27-38(28-20-32)40(34-11-7-4-8-12-34)36-23-15-30(2)16-24-36;1-4-14-13-10-8-7-9-12(13)11-17(15-5-2)16-6-3;1-4-13-15(14-5-2)10-12-8-6-11(3)7-9-12;;/h6-41H,5H2,1-4H3;4-28H,1-3H3;3-28H,1-2H3;7-10H,4-6,11H2,1-3H3;6-9H,4-5,10H2,1-3H3;2*1H2/b15-14+,17-16+;;;;;;.
What are the key properties of diethoxy-[(2-ethoxyphenyl)methyl]phosphane;diethoxy-[(4-methylphenyl)methyl]phosphane;N-[4-[4-(N-[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;4-(N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)benzaldehyde;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;dihydrate?
diethoxy-[(2-ethoxyphenyl)methyl]phosphane;diethoxy-[(4-methylphenyl)methyl]phosphane;N-[4-[4-(N-[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;4-(N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)benzaldehyde;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;dihydrate has a molecular weight of 2389.02 g/mol, XLogP of 43.80, 43 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[(2-ethoxyphenyl)methyl]phosphane;diethoxy-[(4-methylphenyl)methyl]phosphane;N-[4-[4-(N-[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;4-(N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)benzaldehyde;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;dihydrate is sourced from PubChem (CID 161015064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).