(Z)-1-(3-amino-4-methoxyphenyl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1-methylindol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

C117H121N7O28 — CID 162171108

IUPAC(Z)-1-(3-amino-4-methoxyphenyl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1-methylindol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(/C=C\c2cc(O)c(OC)c(N/C=C\C(=O)c3c[nH]c4ccccc34)c2)cc(OC)c1OC.COc1cc(/C=C\c2cc(O)c(OC)c(N/C=C\C(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC.COc1cc(/C=C\c2cc(O)c(OC)c(N/C=C\C(=O)c3cn(C)c4ccccc34)c2)cc(OC)c1OC.COc1ccc(C(=O)/C=C\Nc2cc(/C=C\c3cc(OC)c(OC)c(OC)c3)cc(O)c2OC)cc1N
InChIInChI=1S/C30H30N2O6.C30H33NO9.C29H28N2O6.C28H30N2O7/c1-32-18-22(21-8-6-7-9-24(21)32)25(33)12-13-31-23-14-19(15-26(34)29(23)37-4)10-11-20-16-27(35-2)30(38-5)28(17-20)36-3;1-34-24-14-19(15-25(35-2)29(24)39-6)9-8-18-12-21(28(38-5)23(33)13-18)31-11-10-22(32)20-16-26(36-3)30(40-7)27(17-20)37-4;1-34-26-15-19(16-27(35-2)29(26)37-4)10-9-18-13-23(28(36-3)25(33)14-18)30-12-11-24(32)21-17-31-22-8-6-5-7-20(21)22;1-33-24-9-8-19(16-20(24)29)22(31)10-11-30-21-12-17(13-23(32)27(21)36-4)6-7-18-14-25(34-2)28(37-5)26(15-18)35-3/h6-18,31,34H,1-5H3;8-17,31,33H,1-7H3;5-17,30-31,33H,1-4H3;6-16,30,32H,29H2,1-5H3/b11-10-,13-12-;9-8-,11-10-;10-9-,12-11-;7-6-,11-10-
InChIKeyZNULNZFVIIPCOM-GXIGFNRZSA-N
MW2073.28 g/mol
LogP22.21
Rot. Bonds44

About (Z)-1-(3-amino-4-methoxyphenyl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1-methylindol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

(Z)-1-(3-amino-4-methoxyphenyl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1-methylindol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (PubChem CID 162171108) has the molecular formula C117H121N7O28 and a molecular weight of 2073.28 g/mol. Its IUPAC name is (Z)-1-(3-amino-4-methoxyphenyl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1-methylindol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(3-amino-4-methoxyphenyl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1-methylindol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
PubChem CID162171108
Molecular FormulaC117H121N7O28
Molecular Weight2073.28 g/mol
Exact Mass2071.83
IUPAC Name(Z)-1-(3-amino-4-methoxyphenyl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1-methylindol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(/C=C\c2cc(O)c(OC)c(N/C=C\C(=O)c3c[nH]c4ccccc34)c2)cc(OC)c1OC.COc1cc(/C=C\c2cc(O)c(OC)c(N/C=C\C(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC.COc1cc(/C=C\c2cc(O)c(OC)c(N/C=C\C(=O)c3cn(C)c4ccccc34)c2)cc(OC)c1OC.COc1ccc(C(=O)/C=C\Nc2cc(/C=C\c3cc(OC)c(OC)c(OC)c3)cc(O)c2OC)cc1N
InChIInChI=1S/C30H30N2O6.C30H33NO9.C29H28N2O6.C28H30N2O7/c1-32-18-22(21-8-6-7-9-24(21)32)25(33)12-13-31-23-14-19(15-26(34)29(23)37-4)10-11-20-16-27(35-2)30(38-5)28(17-20)36-3;1-34-24-14-19(15-25(35-2)29(24)39-6)9-8-18-12-21(28(38-5)23(33)13-18)31-11-10-22(32)20-16-26(36-3)30(40-7)27(17-20)37-4;1-34-26-15-19(16-27(35-2)29(26)37-4)10-9-18-13-23(28(36-3)25(33)14-18)30-12-11-24(32)21-17-31-22-8-6-5-7-20(21)22;1-33-24-9-8-19(16-20(24)29)22(31)10-11-30-21-12-17(13-23(32)27(21)36-4)6-7-18-14-25(34-2)28(37-5)26(15-18)35-3/h6-18,31,34H,1-5H3;8-17,31,33H,1-7H3;5-17,30-31,33H,1-4H3;6-16,30,32H,29H2,1-5H3/b11-10-,13-12-;9-8-,11-10-;10-9-,12-11-;7-6-,11-10-
InChIKeyZNULNZFVIIPCOM-GXIGFNRZSA-N
XLogP22.21
TPSA428.66 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds44
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002073.28
LogP ≤ 522.21
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze (Z)-1-(3-amino-4-methoxyphenyl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1-methylindol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-[2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one
CID 154206174
(Z)-3-[2,3-dimethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one
CID 118495563
(Z)-3-[3-bromo-2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1-methylindol-3-yl)prop-2-en-1-one
CID 118495460
(Z)-3-[4-hydroxy-5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1-methylindol-3-yl)prop-2-en-1-one
CID 118495377
(Z)-1-(1-methylindol-3-yl)-3-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 118495325
1-(3-amino-4-methoxyphenyl)-3-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 154157650
(E)-1-(1-methylindol-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 56657919
(Z)-1-(2-aminophenyl)-3-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 118495394
1-(3-amino-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 154161434
carbanide;(Z)-1-(3-hydroxybenzene-4-id-1-yl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;uranium(2+)
CID 163792781
(Z)-1-(3-amino-4-methoxyphenyl)-3-[2-hydroxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 118500949
(Z)-1-(2-aminophenyl)-3-[3-chloro-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 118495694

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-amino-4-methoxyphenyl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1-methylindol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-1-(3-amino-4-methoxyphenyl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1-methylindol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (CID 162171108) is (Z)-1-(3-amino-4-methoxyphenyl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1-methylindol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-(3-amino-4-methoxyphenyl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1-methylindol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-1-(3-amino-4-methoxyphenyl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1-methylindol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is COc1cc(/C=C\c2cc(O)c(OC)c(N/C=C\C(=O)c3c[nH]c4ccccc34)c2)cc(OC)c1OC.COc1cc(/C=C\c2cc(O)c(OC)c(N/C=C\C(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC.COc1cc(/C=C\c2cc(O)c(OC)c(N/C=C\C(=O)c3cn(C)c4ccccc34)c2)cc(OC)c1OC.COc1ccc(C(=O)/C=C\Nc2cc(/C=C\c3cc(OC)c(OC)c(OC)c3)cc(O)c2OC)cc1N.
What is the InChIKey of (Z)-1-(3-amino-4-methoxyphenyl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1-methylindol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The InChIKey is ZNULNZFVIIPCOM-GXIGFNRZSA-N. The full InChI is InChI=1S/C30H30N2O6.C30H33NO9.C29H28N2O6.C28H30N2O7/c1-32-18-22(21-8-6-7-9-24(21)32)25(33)12-13-31-23-14-19(15-26(34)29(23)37-4)10-11-20-16-27(35-2)30(38-5)28(17-20)36-3;1-34-24-14-19(15-25(35-2)29(24)39-6)9-8-18-12-21(28(38-5)23(33)13-18)31-11-10-22(32)20-16-26(36-3)30(40-7)27(17-20)37-4;1-34-26-15-19(16-27(35-2)29(26)37-4)10-9-18-13-23(28(36-3)25(33)14-18)30-12-11-24(32)21-17-31-22-8-6-5-7-20(21)22;1-33-24-9-8-19(16-20(24)29)22(31)10-11-30-21-12-17(13-23(32)27(21)36-4)6-7-18-14-25(34-2)28(37-5)26(15-18)35-3/h6-18,31,34H,1-5H3;8-17,31,33H,1-7H3;5-17,30-31,33H,1-4H3;6-16,30,32H,29H2,1-5H3/b11-10-,13-12-;9-8-,11-10-;10-9-,12-11-;7-6-,11-10-.
What are the key properties of (Z)-1-(3-amino-4-methoxyphenyl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1-methylindol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
(Z)-1-(3-amino-4-methoxyphenyl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1-methylindol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one has a molecular weight of 2073.28 g/mol, XLogP of 22.21, 44 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-amino-4-methoxyphenyl)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1-methylindol-3-yl)prop-2-en-1-one;(Z)-3-[3-hydroxy-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 162171108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).