[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methanol;[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate;prop-2-enoyl chloride

C93H83ClN4O6 — CID 90823968

IUPAC[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methanol;[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)OCc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccc(N(c4ccc(C)cc4)c4ccc(COC(=O)C=C)cc4)cc3)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccc(N(c4ccc(C)cc4)c4ccc(CO)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H42N2O4.C42H38N2O.C3H3ClO/c1-5-47(51)53-33-39-17-29-45(30-18-39)49(41-21-7-35(3)8-22-41)43-25-13-37(14-26-43)11-12-38-15-27-44(28-16-38)50(42-23-9-36(4)10-24-42)46-31-19-40(20-32-46)34-54-48(52)6-2;1-31-4-18-37(19-5-31)43(38-20-6-32(2)7-21-38)40-24-12-34(13-25-40)10-11-35-14-26-41(27-15-35)44(39-22-8-33(3)9-23-39)42-28-16-36(30-45)17-29-42;1-2-3(4)5/h5-32H,1-2,33-34H2,3-4H3;4-29,45H,30H2,1-3H3;2H,1H2/b12-11+;11-10+;
InChIKeyQFXMBFNXTOGFSB-ZORQJRJUSA-N
MW1388.16 g/mol
LogP24.02
Rot. Bonds24

About [4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methanol;[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate;prop-2-enoyl chloride

[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methanol;[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate;prop-2-enoyl chloride (PubChem CID 90823968) has the molecular formula C93H83ClN4O6 and a molecular weight of 1388.16 g/mol. Its IUPAC name is [4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methanol;[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate;prop-2-enoyl chloride.

Molecular Properties

Compound Name[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methanol;[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate;prop-2-enoyl chloride
PubChem CID90823968
Molecular FormulaC93H83ClN4O6
Molecular Weight1388.16 g/mol
Exact Mass1386.60
IUPAC Name[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methanol;[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)OCc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccc(N(c4ccc(C)cc4)c4ccc(COC(=O)C=C)cc4)cc3)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccc(N(c4ccc(C)cc4)c4ccc(CO)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H42N2O4.C42H38N2O.C3H3ClO/c1-5-47(51)53-33-39-17-29-45(30-18-39)49(41-21-7-35(3)8-22-41)43-25-13-37(14-26-43)11-12-38-15-27-44(28-16-38)50(42-23-9-36(4)10-24-42)46-31-19-40(20-32-46)34-54-48(52)6-2;1-31-4-18-37(19-5-31)43(38-20-6-32(2)7-21-38)40-24-12-34(13-25-40)10-11-35-14-26-41(27-15-35)44(39-22-8-33(3)9-23-39)42-28-16-36(30-45)17-29-42;1-2-3(4)5/h5-32H,1-2,33-34H2,3-4H3;4-29,45H,30H2,1-3H3;2H,1H2/b12-11+;11-10+;
InChIKeyQFXMBFNXTOGFSB-ZORQJRJUSA-N
XLogP24.02
TPSA102.86 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001388.16
LogP ≤ 524.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methanol;[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate;prop-2-enoyl chloride with MolForge

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Related Compounds

[4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate
CID 135297284
[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl] 2-methylprop-2-enoate
CID 59832655
[4-(4-methyl-N-[4-[2-[4-[2-[4-(4-methyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl] prop-2-enoate
CID 58807715
[4-(4-methyl-N-[4-[[4-(4-methyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]methoxymethyl]phenyl]anilino)phenyl] prop-2-enoate
CID 22089867
[4-[4-(prop-2-enoyloxymethyl)-N-[4-[[4-(prop-2-enoyloxymethyl)phenoxy]methoxy]phenyl]anilino]phenyl]methyl prop-2-enoate
CID 59716165
[4-(4-methyl-N-[4-[[4-[2-[4-(2-oxobut-3-enoxy)phenyl]ethyl]phenyl]methyl]phenyl]anilino)phenyl]methyl prop-2-enoate
CID 58961751
3-[3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]-5-(3-prop-2-enoyloxypropyl)phenyl]propyl prop-2-enoate
CID 58876614
[4-(N-(4-benzoylphenyl)-4-ethenylanilino)phenyl]methyl prop-2-enoate
CID 59935411
[4-[N-[9,9-dimethyl-7-[4-(prop-2-enoyloxymethyl)-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino]fluoren-2-yl]-4-(prop-2-enoyloxymethyl)anilino]phenyl]methyl prop-2-enoate
CID 58385641
[4-(N-[4-[4-(N-[4-(acetyloxymethyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]methyl acetate
CID 21360304
[4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate
CID 59801354
[4-(4-methyl-N-[4-[2-[10-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]anilino)phenyl] prop-2-enoate
CID 59302166

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methanol;[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate;prop-2-enoyl chloride?
The IUPAC name of [4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methanol;[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate;prop-2-enoyl chloride (CID 90823968) is [4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methanol;[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate;prop-2-enoyl chloride.
What is the SMILES notation for [4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methanol;[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate;prop-2-enoyl chloride?
The canonical SMILES for [4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methanol;[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)OCc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccc(N(c4ccc(C)cc4)c4ccc(COC(=O)C=C)cc4)cc3)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccc(N(c4ccc(C)cc4)c4ccc(CO)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methanol;[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate;prop-2-enoyl chloride?
The InChIKey is QFXMBFNXTOGFSB-ZORQJRJUSA-N. The full InChI is InChI=1S/C48H42N2O4.C42H38N2O.C3H3ClO/c1-5-47(51)53-33-39-17-29-45(30-18-39)49(41-21-7-35(3)8-22-41)43-25-13-37(14-26-43)11-12-38-15-27-44(28-16-38)50(42-23-9-36(4)10-24-42)46-31-19-40(20-32-46)34-54-48(52)6-2;1-31-4-18-37(19-5-31)43(38-20-6-32(2)7-21-38)40-24-12-34(13-25-40)10-11-35-14-26-41(27-15-35)44(39-22-8-33(3)9-23-39)42-28-16-36(30-45)17-29-42;1-2-3(4)5/h5-32H,1-2,33-34H2,3-4H3;4-29,45H,30H2,1-3H3;2H,1H2/b12-11+;11-10+;.
What are the key properties of [4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methanol;[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate;prop-2-enoyl chloride?
[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methanol;[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate;prop-2-enoyl chloride has a molecular weight of 1388.16 g/mol, XLogP of 24.02, 24 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methanol;[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate;prop-2-enoyl chloride is sourced from PubChem (CID 90823968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).