9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene

C31H23NO3 — CID 139774271

IUPAC9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene
SMILESCOc1ccc(C=Cc2c3ccccc3c(C=Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1
InChIInChI=1S/C31H23NO3/c1-35-25-18-12-23(13-19-25)15-21-31-28-8-4-2-6-26(28)30(27-7-3-5-9-29(27)31)20-14-22-10-16-24(17-11-22)32(33)34/h2-21H,1H3
InChIKeyYNVSKVZTXDVHQC-UHFFFAOYSA-N
MW457.53 g/mol
LogP8.25
Rot. Bonds6

About 9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene

9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene (PubChem CID 139774271) has the molecular formula C31H23NO3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene.

Molecular Properties

Compound Name9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene
PubChem CID139774271
Molecular FormulaC31H23NO3
Molecular Weight457.53 g/mol
Exact Mass457.17
IUPAC Name9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene
SMILESCOc1ccc(C=Cc2c3ccccc3c(C=Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1
InChIInChI=1S/C31H23NO3/c1-35-25-18-12-23(13-19-25)15-21-31-28-8-4-2-6-26(28)30(27-7-3-5-9-29(27)31)20-14-22-10-16-24(17-11-22)32(33)34/h2-21H,1H3
InChIKeyYNVSKVZTXDVHQC-UHFFFAOYSA-N
XLogP8.25
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene
CID 15074034
1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene
CID 67928044
1,3,5-trimethoxy-2,4,6-tris[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 15542576
1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene
CID 73187719
2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6000919
1-methoxy-4-[2-(4-nitrophenyl)ethenyl]phthalazine
CID 6812565
1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048
2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5-one
CID 155277900
4-chloro-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline
CID 125496720
(2Z,4E)-3-(4-methoxyphenyl)-5-(4-nitrophenyl)penta-2,4-dienal
CID 121374011
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-[(Z)-2-methoxyethenyl]-4-nitrobenzene
CID 12555318

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene?
The IUPAC name of 9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene (CID 139774271) is 9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene.
What is the SMILES notation for 9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene?
The canonical SMILES for 9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene is COc1ccc(C=Cc2c3ccccc3c(C=Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1.
What is the InChIKey of 9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene?
The InChIKey is YNVSKVZTXDVHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO3/c1-35-25-18-12-23(13-19-25)15-21-31-28-8-4-2-6-26(28)30(27-7-3-5-9-29(27)31)20-14-22-10-16-24(17-11-22)32(33)34/h2-21H,1H3.
What are the key properties of 9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene?
9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene has a molecular weight of 457.53 g/mol, XLogP of 8.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene is sourced from PubChem (CID 139774271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).