N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline

C30H28N2O4 — CID 102288244

IUPACN,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
SMILESCCOc1ccc(N(c2ccc(/C=C/c3ccc([N+](=O)[O-])cc3)cc2)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C30H28N2O4/c1-3-35-29-19-15-26(16-20-29)31(27-17-21-30(22-18-27)36-4-2)25-11-7-23(8-12-25)5-6-24-9-13-28(14-10-24)32(33)34/h5-22H,3-4H2,1-2H3/b6-5+
InChIKeyCBCRTPYHGUKKDO-AATRIKPKSA-N
MW480.56 g/mol
LogP8.03
Rot. Bonds10

About N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline

N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline (PubChem CID 102288244) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
PubChem CID102288244
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC NameN,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
SMILESCCOc1ccc(N(c2ccc(/C=C/c3ccc([N+](=O)[O-])cc3)cc2)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C30H28N2O4/c1-3-35-29-19-15-26(16-20-29)31(27-17-21-30(22-18-27)36-4-2)25-11-7-23(8-12-25)5-6-24-9-13-28(14-10-24)32(33)34/h5-22H,3-4H2,1-2H3/b6-5+
InChIKeyCBCRTPYHGUKKDO-AATRIKPKSA-N
XLogP8.03
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline
CID 122211085
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline
CID 70499270
N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 99705183
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 67837040
1-nitro-4-[(1E,3E,5E)-6-(4-propoxyphenyl)hexa-1,3,5-trienyl]benzene
CID 139039273
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-nitroaniline
CID 5332551
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314781
N-(4-ethoxyphenyl)-4-nitro-N-prop-2-enylbenzenesulfonamide
CID 100525941
1-methyl-4-[(E)-3-(4-nitrophenyl)prop-2-enoxy]benzene
CID 6377413
(E)-1-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 9030348
1-(4-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 3904507
3-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]propyl-dipropoxysilane
CID 173344914

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline?
The IUPAC name of N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline (CID 102288244) is N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline.
What is the SMILES notation for N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline?
The canonical SMILES for N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline is CCOc1ccc(N(c2ccc(/C=C/c3ccc([N+](=O)[O-])cc3)cc2)c2ccc(OCC)cc2)cc1.
What is the InChIKey of N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline?
The InChIKey is CBCRTPYHGUKKDO-AATRIKPKSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-3-35-29-19-15-26(16-20-29)31(27-17-21-30(22-18-27)36-4-2)25-11-7-23(8-12-25)5-6-24-9-13-28(14-10-24)32(33)34/h5-22H,3-4H2,1-2H3/b6-5+.
What are the key properties of N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline?
N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline has a molecular weight of 480.56 g/mol, XLogP of 8.03, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline is sourced from PubChem (CID 102288244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).