[4-[4-(2,4-dimethylphenyl)-N-[4-[2-[4-[4-(2,4-dimethylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]propan-2-yl]phenyl]anilino]phenyl] 2-methylprop-2-enoate

C63H58N2O4 — CID 58205422

IUPAC[4-[4-(2,4-dimethylphenyl)-N-[4-[2-[4-[4-(2,4-dimethylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]propan-2-yl]phenyl]anilino]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(N(c2ccc(-c3ccc(C)cc3C)cc2)c2ccc(C(C)(C)c3ccc(N(c4ccc(OC(=O)C(=C)C)cc4)c4ccc(-c5ccc(C)cc5C)cc4)cc3)cc2)cc1
InChIInChI=1S/C63H58N2O4/c1-41(2)61(66)68-57-33-29-55(30-34-57)64(51-21-13-47(14-22-51)59-37-11-43(5)39-45(59)7)53-25-17-49(18-26-53)63(9,10)50-19-27-54(28-20-50)65(56-31-35-58(36-32-56)69-62(67)42(3)4)52-23-15-48(16-24-52)60-38-12-44(6)40-46(60)8/h11-40H,1,3H2,2,4-10H3
InChIKeyGYTAFDIQIODVHK-UHFFFAOYSA-N
MW907.17 g/mol
LogP16.48
Rot. Bonds14

About [4-[4-(2,4-dimethylphenyl)-N-[4-[2-[4-[4-(2,4-dimethylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]propan-2-yl]phenyl]anilino]phenyl] 2-methylprop-2-enoate

[4-[4-(2,4-dimethylphenyl)-N-[4-[2-[4-[4-(2,4-dimethylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]propan-2-yl]phenyl]anilino]phenyl] 2-methylprop-2-enoate (PubChem CID 58205422) has the molecular formula C63H58N2O4 and a molecular weight of 907.17 g/mol. Its IUPAC name is [4-[4-(2,4-dimethylphenyl)-N-[4-[2-[4-[4-(2,4-dimethylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]propan-2-yl]phenyl]anilino]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[4-(2,4-dimethylphenyl)-N-[4-[2-[4-[4-(2,4-dimethylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]propan-2-yl]phenyl]anilino]phenyl] 2-methylprop-2-enoate
PubChem CID58205422
Molecular FormulaC63H58N2O4
Molecular Weight907.17 g/mol
Exact Mass906.44
IUPAC Name[4-[4-(2,4-dimethylphenyl)-N-[4-[2-[4-[4-(2,4-dimethylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]propan-2-yl]phenyl]anilino]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(N(c2ccc(-c3ccc(C)cc3C)cc2)c2ccc(C(C)(C)c3ccc(N(c4ccc(OC(=O)C(=C)C)cc4)c4ccc(-c5ccc(C)cc5C)cc4)cc3)cc2)cc1
InChIInChI=1S/C63H58N2O4/c1-41(2)61(66)68-57-33-29-55(30-34-57)64(51-21-13-47(14-22-51)59-37-11-43(5)39-45(59)7)53-25-17-49(18-26-53)63(9,10)50-19-27-54(28-20-50)65(56-31-35-58(36-32-56)69-62(67)42(3)4)52-23-15-48(16-24-52)60-38-12-44(6)40-46(60)8/h11-40H,1,3H2,2,4-10H3
InChIKeyGYTAFDIQIODVHK-UHFFFAOYSA-N
XLogP16.48
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.17
LogP ≤ 516.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[4-(2,4-dimethylphenyl)-N-[4-[2-[4-[4-(2,4-dimethylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]propan-2-yl]phenyl]anilino]phenyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

[2-methyl-5-(4-methyl-N-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propan-2-yl]phenyl]anilino)phenyl] 2-methylprop-2-enoate
CID 58205411
[4-[2,5-dimethyl-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 135130109
[4-[N-[4-[4-methyl-2-[4-[4-(4-methylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(4-methylphenyl)anilino]phenyl] 2-methylprop-2-enoate
CID 58205425
[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl] 2-methylprop-2-enoate
CID 58701296
[4-[4-(4-methyl-N-[4-[5-[4-(4-methyl-N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]anilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl] 2-methylprop-2-enoate
CID 58520185
[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenoxy]phenyl] 2-methylprop-2-enoate
CID 58800614
[4-[2-(4-prop-1-en-2-yloxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 170064878
[4-[2-[4-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 68830864
[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-(4-methylphenyl)-2,3-bis(trifluoromethyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 118147467
[4-[2-[4-[4-(N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] acetate
CID 59937331
N,N-bis[4-(4-tert-butyl-2-ethylphenyl)phenyl]-4-(2,4-dimethylphenyl)aniline
CID 123417724

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,4-dimethylphenyl)-N-[4-[2-[4-[4-(2,4-dimethylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]propan-2-yl]phenyl]anilino]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[4-(2,4-dimethylphenyl)-N-[4-[2-[4-[4-(2,4-dimethylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]propan-2-yl]phenyl]anilino]phenyl] 2-methylprop-2-enoate (CID 58205422) is [4-[4-(2,4-dimethylphenyl)-N-[4-[2-[4-[4-(2,4-dimethylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]propan-2-yl]phenyl]anilino]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[4-(2,4-dimethylphenyl)-N-[4-[2-[4-[4-(2,4-dimethylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]propan-2-yl]phenyl]anilino]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[4-(2,4-dimethylphenyl)-N-[4-[2-[4-[4-(2,4-dimethylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]propan-2-yl]phenyl]anilino]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(N(c2ccc(-c3ccc(C)cc3C)cc2)c2ccc(C(C)(C)c3ccc(N(c4ccc(OC(=O)C(=C)C)cc4)c4ccc(-c5ccc(C)cc5C)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-(2,4-dimethylphenyl)-N-[4-[2-[4-[4-(2,4-dimethylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]propan-2-yl]phenyl]anilino]phenyl] 2-methylprop-2-enoate?
The InChIKey is GYTAFDIQIODVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H58N2O4/c1-41(2)61(66)68-57-33-29-55(30-34-57)64(51-21-13-47(14-22-51)59-37-11-43(5)39-45(59)7)53-25-17-49(18-26-53)63(9,10)50-19-27-54(28-20-50)65(56-31-35-58(36-32-56)69-62(67)42(3)4)52-23-15-48(16-24-52)60-38-12-44(6)40-46(60)8/h11-40H,1,3H2,2,4-10H3.
What are the key properties of [4-[4-(2,4-dimethylphenyl)-N-[4-[2-[4-[4-(2,4-dimethylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]propan-2-yl]phenyl]anilino]phenyl] 2-methylprop-2-enoate?
[4-[4-(2,4-dimethylphenyl)-N-[4-[2-[4-[4-(2,4-dimethylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]propan-2-yl]phenyl]anilino]phenyl] 2-methylprop-2-enoate has a molecular weight of 907.17 g/mol, XLogP of 16.48, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2,4-dimethylphenyl)-N-[4-[2-[4-[4-(2,4-dimethylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]propan-2-yl]phenyl]anilino]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 58205422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).