[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

C86H73N3O6 — CID 157164623

IUPAC[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
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.C=CC(=O)Oc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.C=CC(=O)Oc1cccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C30H27NO2.C29H25NO2.C27H21NO2/c1-21(2)30(32)33-29-19-11-25(12-20-29)24-9-17-28(18-10-24)31(26-13-5-22(3)6-14-26)27-15-7-23(4)8-16-27;1-4-29(31)32-28-19-11-24(12-20-28)23-9-17-27(18-10-23)30(25-13-5-21(2)6-14-25)26-15-7-22(3)8-16-26;1-2-27(29)30-26-15-9-10-22(20-26)21-16-18-25(19-17-21)28(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h5-20H,1H2,2-4H3;4-20H,1H2,2-3H3;2-20H,1H2
InChIKeyAMTNYVCJSUWWAX-UHFFFAOYSA-N
MW1244.54 g/mol
LogP22.37
Rot. Bonds18

About [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

[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 (PubChem CID 157164623) has the molecular formula C86H73N3O6 and a molecular weight of 1244.54 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID157164623
Molecular FormulaC86H73N3O6
Molecular Weight1244.54 g/mol
Exact Mass1243.55
IUPAC Name[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
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.C=CC(=O)Oc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.C=CC(=O)Oc1cccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C30H27NO2.C29H25NO2.C27H21NO2/c1-21(2)30(32)33-29-19-11-25(12-20-29)24-9-17-28(18-10-24)31(26-13-5-22(3)6-14-26)27-15-7-23(4)8-16-27;1-4-29(31)32-28-19-11-24(12-20-28)23-9-17-27(18-10-23)30(25-13-5-21(2)6-14-25)26-15-7-22(3)8-16-26;1-2-27(29)30-26-15-9-10-22(20-26)21-16-18-25(19-17-21)28(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h5-20H,1H2,2-4H3;4-20H,1H2,2-3H3;2-20H,1H2
InChIKeyAMTNYVCJSUWWAX-UHFFFAOYSA-N
XLogP22.37
TPSA88.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001244.54
LogP ≤ 522.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [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 with MolForge

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Related Compounds

[3-[4-(N-(4-chlorophenyl)-4-methylanilino)phenyl]phenyl] 2-methylprop-2-enoate
CID 59366095
[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenoxy]phenyl] 2-methylprop-2-enoate
CID 58800614
[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
[6-[N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58520173
[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl] 2-methylprop-2-enoate
CID 58701296
[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 58800639
[4-[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914
[4-[4-(N-(3-methylphenyl)-4-prop-2-enoyloxyanilino)phenyl]phenyl] prop-2-enoate
CID 59832794
[4-[4-[N-[3,5-bis(N-phenylanilino)phenyl]-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 58520163
phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 89212422
[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 118680413

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C=C(C)C(=O)Oc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.C=CC(=O)Oc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.C=CC(=O)Oc1cccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1.
What is the InChIKey of [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?
The InChIKey is AMTNYVCJSUWWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO2.C29H25NO2.C27H21NO2/c1-21(2)30(32)33-29-19-11-25(12-20-29)24-9-17-28(18-10-24)31(26-13-5-22(3)6-14-26)27-15-7-23(4)8-16-27;1-4-29(31)32-28-19-11-24(12-20-28)23-9-17-27(18-10-23)30(25-13-5-21(2)6-14-25)26-15-7-22(3)8-16-26;1-2-27(29)30-26-15-9-10-22(20-26)21-16-18-25(19-17-21)28(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h5-20H,1H2,2-4H3;4-20H,1H2,2-3H3;2-20H,1H2.
What are the key properties of [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?
[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 has a molecular weight of 1244.54 g/mol, XLogP of 22.37, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 157164623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).