1-[4-[2-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate

C105H103N3O9 — CID 158521665

IUPAC1-[4-[2-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate
SMILESC=C(C)C(=O)OC(C)COc1ccc(CCc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.C=CC(=O)OC(C)COc1ccc(CCc2ccc(N(c3ccc(C)cc3)c3ccc(-c4ccc(C)cc4)cc3)cc2)cc1.C=CC(=O)OC(C)COc1ccc(CCc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C40H39NO3.C33H33NO3.C32H31NO3/c1-5-40(42)44-31(4)28-43-39-26-14-33(15-27-39)11-10-32-12-22-37(23-13-32)41(36-20-8-30(3)9-21-36)38-24-18-35(19-25-38)34-16-6-29(2)7-17-34;1-25(2)33(35)37-26(3)24-36-32-22-18-28(19-23-32)15-14-27-16-20-31(21-17-27)34(29-10-6-4-7-11-29)30-12-8-5-9-13-30;1-3-32(34)36-25(2)24-35-31-22-18-27(19-23-31)15-14-26-16-20-30(21-17-26)33(28-10-6-4-7-11-28)29-12-8-5-9-13-29/h5-9,12-27,31H,1,10-11,28H2,2-4H3;4-13,16-23,26H,1,14-15,24H2,2-3H3;3-13,16-23,25H,1,14-15,24H2,2H3
InChIKeyHMHFMRCBMORJHP-UHFFFAOYSA-N
MW1550.99 g/mol
LogP24.99
Rot. Bonds34

About 1-[4-[2-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate

1-[4-[2-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate (PubChem CID 158521665) has the molecular formula C105H103N3O9 and a molecular weight of 1550.99 g/mol. Its IUPAC name is 1-[4-[2-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-[4-[2-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate
PubChem CID158521665
Molecular FormulaC105H103N3O9
Molecular Weight1550.99 g/mol
Exact Mass1549.77
IUPAC Name1-[4-[2-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate
SMILESC=C(C)C(=O)OC(C)COc1ccc(CCc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.C=CC(=O)OC(C)COc1ccc(CCc2ccc(N(c3ccc(C)cc3)c3ccc(-c4ccc(C)cc4)cc3)cc2)cc1.C=CC(=O)OC(C)COc1ccc(CCc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C40H39NO3.C33H33NO3.C32H31NO3/c1-5-40(42)44-31(4)28-43-39-26-14-33(15-27-39)11-10-32-12-22-37(23-13-32)41(36-20-8-30(3)9-21-36)38-24-18-35(19-25-38)34-16-6-29(2)7-17-34;1-25(2)33(35)37-26(3)24-36-32-22-18-28(19-23-32)15-14-27-16-20-31(21-17-27)34(29-10-6-4-7-11-29)30-12-8-5-9-13-30;1-3-32(34)36-25(2)24-35-31-22-18-27(19-23-31)15-14-26-16-20-30(21-17-26)33(28-10-6-4-7-11-28)29-12-8-5-9-13-29/h5-9,12-27,31H,1,10-11,28H2,2-4H3;4-13,16-23,26H,1,14-15,24H2,2-3H3;3-13,16-23,25H,1,14-15,24H2,2H3
InChIKeyHMHFMRCBMORJHP-UHFFFAOYSA-N
XLogP24.99
TPSA116.31 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds34
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001550.99
LogP ≤ 524.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[4-[2-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate with MolForge

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Related Compounds

1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl prop-2-enoate;1-[4-(N-(4-phenylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate
CID 160871173
1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate
CID 69379024
[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl] 2-methylprop-2-enoate;[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl] prop-2-enoate;[3-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 157164623
4-(4-methylphenyl)-N-phenyl-N-[4-[2-(4-prop-2-enoxyphenyl)ethoxy]phenyl]aniline
CID 58701269
[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl] 2-methylprop-2-enoate
CID 59832655
2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate
CID 59399913
2-[4-[N-(4-prop-2-enoyloxyphenyl)-4-[4-(N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]anilino]phenyl]ethyl prop-2-enoate
CID 22089877
4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]butyl prop-2-enoate;10-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]decyl prop-2-enoate;bis(2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]ethyl prop-2-enoate);[3-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;3-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]propyl prop-2-enoate;2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]ethyl prop-2-enoate;N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]prop-2-enamide;2-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]ethyl prop-2-enoate;[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 162006237
[4-[4-[2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219900
[4-[4-[N-[4-[4-[N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl] 2-methylprop-2-enoate
CID 58520075
[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 58800639
1-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxypropoxy)phenyl]propyl]phenoxy]propan-2-yl prop-2-enoate
CID 20746543

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate?
The IUPAC name of 1-[4-[2-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate (CID 158521665) is 1-[4-[2-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate.
What is the SMILES notation for 1-[4-[2-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate?
The canonical SMILES for 1-[4-[2-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate is C=C(C)C(=O)OC(C)COc1ccc(CCc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.C=CC(=O)OC(C)COc1ccc(CCc2ccc(N(c3ccc(C)cc3)c3ccc(-c4ccc(C)cc4)cc3)cc2)cc1.C=CC(=O)OC(C)COc1ccc(CCc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[4-[2-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate?
The InChIKey is HMHFMRCBMORJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39NO3.C33H33NO3.C32H31NO3/c1-5-40(42)44-31(4)28-43-39-26-14-33(15-27-39)11-10-32-12-22-37(23-13-32)41(36-20-8-30(3)9-21-36)38-24-18-35(19-25-38)34-16-6-29(2)7-17-34;1-25(2)33(35)37-26(3)24-36-32-22-18-28(19-23-32)15-14-27-16-20-31(21-17-27)34(29-10-6-4-7-11-29)30-12-8-5-9-13-30;1-3-32(34)36-25(2)24-35-31-22-18-27(19-23-31)15-14-26-16-20-30(21-17-26)33(28-10-6-4-7-11-28)29-12-8-5-9-13-29/h5-9,12-27,31H,1,10-11,28H2,2-4H3;4-13,16-23,26H,1,14-15,24H2,2-3H3;3-13,16-23,25H,1,14-15,24H2,2H3.
What are the key properties of 1-[4-[2-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate?
1-[4-[2-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate has a molecular weight of 1550.99 g/mol, XLogP of 24.99, 34 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenoxy]propan-2-yl prop-2-enoate is sourced from PubChem (CID 158521665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).