1-bromo-8-(5-bromo-2-nitrophenyl)naphthalene

C16H9Br2NO2 — CID 170668159

IUPAC1-bromo-8-(5-bromo-2-nitrophenyl)naphthalene
SMILESO=[N+]([O-])c1ccc(Br)cc1-c1cccc2cccc(Br)c12
InChIInChI=1S/C16H9Br2NO2/c17-11-7-8-15(19(20)21)13(9-11)12-5-1-3-10-4-2-6-14(18)16(10)12/h1-9H
InChIKeyVEHABPZIFGRCJI-UHFFFAOYSA-N
MW407.06 g/mol
LogP5.94
Rot. Bonds2

About 1-bromo-8-(5-bromo-2-nitrophenyl)naphthalene

1-bromo-8-(5-bromo-2-nitrophenyl)naphthalene (PubChem CID 170668159) has the molecular formula C16H9Br2NO2 and a molecular weight of 407.06 g/mol. Its IUPAC name is 1-bromo-8-(5-bromo-2-nitrophenyl)naphthalene.

Molecular Properties

Compound Name1-bromo-8-(5-bromo-2-nitrophenyl)naphthalene
PubChem CID170668159
Molecular FormulaC16H9Br2NO2
Molecular Weight407.06 g/mol
Exact Mass404.90
IUPAC Name1-bromo-8-(5-bromo-2-nitrophenyl)naphthalene
SMILESO=[N+]([O-])c1ccc(Br)cc1-c1cccc2cccc(Br)c12
InChIInChI=1S/C16H9Br2NO2/c17-11-7-8-15(19(20)21)13(9-11)12-5-1-3-10-4-2-6-14(18)16(10)12/h1-9H
InChIKeyVEHABPZIFGRCJI-UHFFFAOYSA-N
XLogP5.94
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.06
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,12-bis(5-bromo-2-nitrophenyl)chrysene
CID 87414674
4-bromo-1-nitro-2-(4-phenylphenyl)benzene
CID 144601418
4-(5-bromo-2-nitrophenyl)dibenzothiophene
CID 67700465
4-(5-bromo-2-nitrophenyl)-9-triphenylen-2-ylcarbazole
CID 178110346
4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole
CID 178110484
6-(5-bromo-2-nitrophenyl)-12-phenylchrysene
CID 87414662
3-naphthalen-1-yl-4-nitrophenol
CID 57178069
1-bromo-5-(2-nitrophenyl)naphthalene
CID 118332360
3-bromo-5-chloro-9H-fluorene;4-bromo-2-(2-chlorophenyl)-1-nitrobenzene
CID 157150544
2-(5-bromo-2-nitrophenyl)-9,9-dimethylfluorene
CID 130288813
2-(8-bromonaphthalen-1-yl)phenol
CID 176647066
1-(5-fluoro-2-nitrophenyl)naphthalene
CID 121246133

Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-(5-bromo-2-nitrophenyl)naphthalene?
The IUPAC name of 1-bromo-8-(5-bromo-2-nitrophenyl)naphthalene (CID 170668159) is 1-bromo-8-(5-bromo-2-nitrophenyl)naphthalene.
What is the SMILES notation for 1-bromo-8-(5-bromo-2-nitrophenyl)naphthalene?
The canonical SMILES for 1-bromo-8-(5-bromo-2-nitrophenyl)naphthalene is O=[N+]([O-])c1ccc(Br)cc1-c1cccc2cccc(Br)c12.
What is the InChIKey of 1-bromo-8-(5-bromo-2-nitrophenyl)naphthalene?
The InChIKey is VEHABPZIFGRCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Br2NO2/c17-11-7-8-15(19(20)21)13(9-11)12-5-1-3-10-4-2-6-14(18)16(10)12/h1-9H.
What are the key properties of 1-bromo-8-(5-bromo-2-nitrophenyl)naphthalene?
1-bromo-8-(5-bromo-2-nitrophenyl)naphthalene has a molecular weight of 407.06 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-(5-bromo-2-nitrophenyl)naphthalene is sourced from PubChem (CID 170668159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).