9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene

C30H20N2O4 — CID 15074034

IUPAC9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene
SMILESO=[N+]([O-])c1ccc(/C=C/c2c3ccccc3c(/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1
InChIInChI=1S/C30H20N2O4/c33-31(34)23-15-9-21(10-16-23)13-19-29-25-5-1-2-6-26(25)30(28-8-4-3-7-27(28)29)20-14-22-11-17-24(18-12-22)32(35)36/h1-20H/b19-13+,20-14+
InChIKeyRYIPHIYFUYUILW-IWGRKNQJSA-N
MW472.50 g/mol
LogP8.15
Rot. Bonds6

About 9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene

9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene (PubChem CID 15074034) has the molecular formula C30H20N2O4 and a molecular weight of 472.50 g/mol. Its IUPAC name is 9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene.

Molecular Properties

Compound Name9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene
PubChem CID15074034
Molecular FormulaC30H20N2O4
Molecular Weight472.50 g/mol
Exact Mass472.14
IUPAC Name9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene
SMILESO=[N+]([O-])c1ccc(/C=C/c2c3ccccc3c(/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1
InChIInChI=1S/C30H20N2O4/c33-31(34)23-15-9-21(10-16-23)13-19-29-25-5-1-2-6-26(25)30(28-8-4-3-7-27(28)29)20-14-22-11-17-24(18-12-22)32(35)36/h1-20H/b19-13+,20-14+
InChIKeyRYIPHIYFUYUILW-IWGRKNQJSA-N
XLogP8.15
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.50
LogP ≤ 58.15
H-Bond Donors ≤ 50
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': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene
CID 139774271
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
1,3,5-trimethoxy-2,4,6-tris[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 15542576
1,2,3,4,5-pentafluoro-6-[2-(4-nitrophenyl)ethenyl]benzene
CID 73129158
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene
CID 122387898
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]benzene
CID 122387900
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872
3-[(E)-2-(4-nitrophenyl)ethenyl]-2,1-benzoxazole
CID 6079913
1-nitro-4-[(Z)-2-nitroethenyl]benzene
CID 19165773

Frequently Asked Questions

What is the IUPAC name of 9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene?
The IUPAC name of 9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene (CID 15074034) is 9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene.
What is the SMILES notation for 9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene?
The canonical SMILES for 9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene is O=[N+]([O-])c1ccc(/C=C/c2c3ccccc3c(/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1.
What is the InChIKey of 9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene?
The InChIKey is RYIPHIYFUYUILW-IWGRKNQJSA-N. The full InChI is InChI=1S/C30H20N2O4/c33-31(34)23-15-9-21(10-16-23)13-19-29-25-5-1-2-6-26(25)30(28-8-4-3-7-27(28)29)20-14-22-11-17-24(18-12-22)32(35)36/h1-20H/b19-13+,20-14+.
What are the key properties of 9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene?
9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene has a molecular weight of 472.50 g/mol, XLogP of 8.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene is sourced from PubChem (CID 15074034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).