(Z)-3-(2-aminophenyl)-2-[3-[(Z)-2-(2-aminophenyl)-1-carboxyethenyl]phenyl]prop-2-enoic acid

C24H20N2O4 — CID 95564600

IUPAC(Z)-3-(2-aminophenyl)-2-[3-[(Z)-2-(2-aminophenyl)-1-carboxyethenyl]phenyl]prop-2-enoic acid
SMILESNc1ccccc1/C=C(\C(=O)O)c1cccc(/C(=C/c2ccccc2N)C(=O)O)c1
InChIInChI=1S/C24H20N2O4/c25-21-10-3-1-6-17(21)13-19(23(27)28)15-8-5-9-16(12-15)20(24(29)30)14-18-7-2-4-11-22(18)26/h1-14H,25-26H2,(H,27,28)(H,29,30)/b19-13-,20-14-
InChIKeyXCEOTJVUVCCYHV-AXPXABNXSA-N
MW400.43 g/mol
LogP4.10
Rot. Bonds6

About (Z)-3-(2-aminophenyl)-2-[3-[(Z)-2-(2-aminophenyl)-1-carboxyethenyl]phenyl]prop-2-enoic acid

(Z)-3-(2-aminophenyl)-2-[3-[(Z)-2-(2-aminophenyl)-1-carboxyethenyl]phenyl]prop-2-enoic acid (PubChem CID 95564600) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is (Z)-3-(2-aminophenyl)-2-[3-[(Z)-2-(2-aminophenyl)-1-carboxyethenyl]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2-aminophenyl)-2-[3-[(Z)-2-(2-aminophenyl)-1-carboxyethenyl]phenyl]prop-2-enoic acid
PubChem CID95564600
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name(Z)-3-(2-aminophenyl)-2-[3-[(Z)-2-(2-aminophenyl)-1-carboxyethenyl]phenyl]prop-2-enoic acid
SMILESNc1ccccc1/C=C(\C(=O)O)c1cccc(/C(=C/c2ccccc2N)C(=O)O)c1
InChIInChI=1S/C24H20N2O4/c25-21-10-3-1-6-17(21)13-19(23(27)28)15-8-5-9-16(12-15)20(24(29)30)14-18-7-2-4-11-22(18)26/h1-14H,25-26H2,(H,27,28)(H,29,30)/b19-13-,20-14-
InChIKeyXCEOTJVUVCCYHV-AXPXABNXSA-N
XLogP4.10
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-aminophenyl)-2-[3-[(Z)-2-(2-aminophenyl)-1-carboxyethenyl]phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-3-(2-aminophenyl)-2-[3-[(Z)-2-(2-aminophenyl)-1-carboxyethenyl]phenyl]prop-2-enoic acid (CID 95564600) is (Z)-3-(2-aminophenyl)-2-[3-[(Z)-2-(2-aminophenyl)-1-carboxyethenyl]phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2-aminophenyl)-2-[3-[(Z)-2-(2-aminophenyl)-1-carboxyethenyl]phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-3-(2-aminophenyl)-2-[3-[(Z)-2-(2-aminophenyl)-1-carboxyethenyl]phenyl]prop-2-enoic acid is Nc1ccccc1/C=C(\C(=O)O)c1cccc(/C(=C/c2ccccc2N)C(=O)O)c1.
What is the InChIKey of (Z)-3-(2-aminophenyl)-2-[3-[(Z)-2-(2-aminophenyl)-1-carboxyethenyl]phenyl]prop-2-enoic acid?
The InChIKey is XCEOTJVUVCCYHV-AXPXABNXSA-N. The full InChI is InChI=1S/C24H20N2O4/c25-21-10-3-1-6-17(21)13-19(23(27)28)15-8-5-9-16(12-15)20(24(29)30)14-18-7-2-4-11-22(18)26/h1-14H,25-26H2,(H,27,28)(H,29,30)/b19-13-,20-14-.
What are the key properties of (Z)-3-(2-aminophenyl)-2-[3-[(Z)-2-(2-aminophenyl)-1-carboxyethenyl]phenyl]prop-2-enoic acid?
(Z)-3-(2-aminophenyl)-2-[3-[(Z)-2-(2-aminophenyl)-1-carboxyethenyl]phenyl]prop-2-enoic acid has a molecular weight of 400.43 g/mol, XLogP of 4.10, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-aminophenyl)-2-[3-[(Z)-2-(2-aminophenyl)-1-carboxyethenyl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 95564600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).