1-bromo-2-[2-(2-bromo-3-nitrophenyl)ethenyl]-8-nitronaphthalene

C18H10Br2N2O4 — CID 141350755

IUPAC1-bromo-2-[2-(2-bromo-3-nitrophenyl)ethenyl]-8-nitronaphthalene
SMILESO=[N+]([O-])c1cccc(C=Cc2ccc3cccc([N+](=O)[O-])c3c2Br)c1Br
InChIInChI=1S/C18H10Br2N2O4/c19-17-12(4-2-6-15(17)22(25)26)9-10-13-8-7-11-3-1-5-14(21(23)24)16(11)18(13)20/h1-10H
InChIKeyWIWPYVKNNOPXRV-UHFFFAOYSA-N
MW478.10 g/mol
LogP6.35
Rot. Bonds4

About 1-bromo-2-[2-(2-bromo-3-nitrophenyl)ethenyl]-8-nitronaphthalene

1-bromo-2-[2-(2-bromo-3-nitrophenyl)ethenyl]-8-nitronaphthalene (PubChem CID 141350755) has the molecular formula C18H10Br2N2O4 and a molecular weight of 478.10 g/mol. Its IUPAC name is 1-bromo-2-[2-(2-bromo-3-nitrophenyl)ethenyl]-8-nitronaphthalene.

Molecular Properties

Compound Name1-bromo-2-[2-(2-bromo-3-nitrophenyl)ethenyl]-8-nitronaphthalene
PubChem CID141350755
Molecular FormulaC18H10Br2N2O4
Molecular Weight478.10 g/mol
Exact Mass475.90
IUPAC Name1-bromo-2-[2-(2-bromo-3-nitrophenyl)ethenyl]-8-nitronaphthalene
SMILESO=[N+]([O-])c1cccc(C=Cc2ccc3cccc([N+](=O)[O-])c3c2Br)c1Br
InChIInChI=1S/C18H10Br2N2O4/c19-17-12(4-2-6-15(17)22(25)26)9-10-13-8-7-11-3-1-5-14(21(23)24)16(11)18(13)20/h1-10H
InChIKeyWIWPYVKNNOPXRV-UHFFFAOYSA-N
XLogP6.35
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.10
LogP ≤ 56.35
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': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-methyl-8-nitronaphthalene
CID 15189474
4-nitrophenanthrene
CID 139058403
ethane;8-nitronaphthalen-1-amine
CID 143448264
1-bromo-2-[(E)-2-nitroethenyl]naphthalene
CID 135381885
1,5,9-trinitrotriphenylene
CID 86227277
(1S,2S)-1,2-dibromo-3-nitro-1,2-dihydroacenaphthylene
CID 15353330
4-bromo-2-methyl-5-nitroquinazoline
CID 106584479
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
1-nitro-2,3-bis(2-phenylethenyl)benzene
CID 155903015
(8-nitronaphthalen-1-yl)methyl formate
CID 89338889
2-formyl-6-nitrophenolate
CID 4158950
2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
CID 11053766

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-(2-bromo-3-nitrophenyl)ethenyl]-8-nitronaphthalene?
The IUPAC name of 1-bromo-2-[2-(2-bromo-3-nitrophenyl)ethenyl]-8-nitronaphthalene (CID 141350755) is 1-bromo-2-[2-(2-bromo-3-nitrophenyl)ethenyl]-8-nitronaphthalene.
What is the SMILES notation for 1-bromo-2-[2-(2-bromo-3-nitrophenyl)ethenyl]-8-nitronaphthalene?
The canonical SMILES for 1-bromo-2-[2-(2-bromo-3-nitrophenyl)ethenyl]-8-nitronaphthalene is O=[N+]([O-])c1cccc(C=Cc2ccc3cccc([N+](=O)[O-])c3c2Br)c1Br.
What is the InChIKey of 1-bromo-2-[2-(2-bromo-3-nitrophenyl)ethenyl]-8-nitronaphthalene?
The InChIKey is WIWPYVKNNOPXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Br2N2O4/c19-17-12(4-2-6-15(17)22(25)26)9-10-13-8-7-11-3-1-5-14(21(23)24)16(11)18(13)20/h1-10H.
What are the key properties of 1-bromo-2-[2-(2-bromo-3-nitrophenyl)ethenyl]-8-nitronaphthalene?
1-bromo-2-[2-(2-bromo-3-nitrophenyl)ethenyl]-8-nitronaphthalene has a molecular weight of 478.10 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-(2-bromo-3-nitrophenyl)ethenyl]-8-nitronaphthalene is sourced from PubChem (CID 141350755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).