(2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-(4-nitrophenyl)nona-2,4,6,8-tetraen-1-amine

C23H24N2O3 — CID 121373934

IUPAC(2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-(4-nitrophenyl)nona-2,4,6,8-tetraen-1-amine
SMILESCOc1ccc(C(=C\C=C\C(C)=C\CN)/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C23H24N2O3/c1-18(16-17-24)4-3-5-20(21-10-14-23(28-2)15-11-21)9-6-19-7-12-22(13-8-19)25(26)27/h3-16H,17,24H2,1-2H3/b4-3+,9-6+,18-16+,20-5-
InChIKeySFZLCLSXCANCPG-XDBUWWOUSA-N
MW376.46 g/mol
LogP5.16
Rot. Bonds8

About (2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-(4-nitrophenyl)nona-2,4,6,8-tetraen-1-amine

(2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-(4-nitrophenyl)nona-2,4,6,8-tetraen-1-amine (PubChem CID 121373934) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is (2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-(4-nitrophenyl)nona-2,4,6,8-tetraen-1-amine.

Molecular Properties

Compound Name(2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-(4-nitrophenyl)nona-2,4,6,8-tetraen-1-amine
PubChem CID121373934
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name(2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-(4-nitrophenyl)nona-2,4,6,8-tetraen-1-amine
SMILESCOc1ccc(C(=C\C=C\C(C)=C\CN)/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C23H24N2O3/c1-18(16-17-24)4-3-5-20(21-10-14-23(28-2)15-11-21)9-6-19-7-12-22(13-8-19)25(26)27/h3-16H,17,24H2,1-2H3/b4-3+,9-6+,18-16+,20-5-
InChIKeySFZLCLSXCANCPG-XDBUWWOUSA-N
XLogP5.16
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-(4-nitrophenyl)nona-2,4,6,8-tetraen-1-amine?
The IUPAC name of (2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-(4-nitrophenyl)nona-2,4,6,8-tetraen-1-amine (CID 121373934) is (2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-(4-nitrophenyl)nona-2,4,6,8-tetraen-1-amine.
What is the SMILES notation for (2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-(4-nitrophenyl)nona-2,4,6,8-tetraen-1-amine?
The canonical SMILES for (2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-(4-nitrophenyl)nona-2,4,6,8-tetraen-1-amine is COc1ccc(C(=C\C=C\C(C)=C\CN)/C=C/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of (2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-(4-nitrophenyl)nona-2,4,6,8-tetraen-1-amine?
The InChIKey is SFZLCLSXCANCPG-XDBUWWOUSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-18(16-17-24)4-3-5-20(21-10-14-23(28-2)15-11-21)9-6-19-7-12-22(13-8-19)25(26)27/h3-16H,17,24H2,1-2H3/b4-3+,9-6+,18-16+,20-5-.
What are the key properties of (2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-(4-nitrophenyl)nona-2,4,6,8-tetraen-1-amine?
(2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-(4-nitrophenyl)nona-2,4,6,8-tetraen-1-amine has a molecular weight of 376.46 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-(4-nitrophenyl)nona-2,4,6,8-tetraen-1-amine is sourced from PubChem (CID 121373934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).