6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene

C20H12N2O4 — CID 174928469

IUPAC6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene
SMILESO=[N+]([O-])c1ccc2c(-c3cccc4cc([N+](=O)[O-])ccc34)cccc2c1
InChIInChI=1S/C20H12N2O4/c23-21(24)15-7-9-17-13(11-15)3-1-5-19(17)20-6-2-4-14-12-16(22(25)26)8-10-18(14)20/h1-12H
InChIKeyPQEHIYJHDPOBCG-UHFFFAOYSA-N
MW344.33 g/mol
LogP5.48
Rot. Bonds3

About 6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene

6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene (PubChem CID 174928469) has the molecular formula C20H12N2O4 and a molecular weight of 344.33 g/mol. Its IUPAC name is 6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene
PubChem CID174928469
Molecular FormulaC20H12N2O4
Molecular Weight344.33 g/mol
Exact Mass344.08
IUPAC Name6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene
SMILESO=[N+]([O-])c1ccc2c(-c3cccc4cc([N+](=O)[O-])ccc34)cccc2c1
InChIInChI=1S/C20H12N2O4/c23-21(24)15-7-9-17-13(11-15)3-1-5-19(17)20-6-2-4-14-12-16(22(25)26)8-10-18(14)20/h1-12H
InChIKeyPQEHIYJHDPOBCG-UHFFFAOYSA-N
XLogP5.48
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.33
LogP ≤ 55.48
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'}

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Related Compounds

1-chloro-6-nitronaphthalene
CID 25003184
2-naphthalen-1-yl-5-nitroaniline
CID 141327222
3-nitroanthracen-9-ol
CID 22457424
4-nitro-11-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione
CID 54531348
1,2,6-trinitronaphthalene
CID 147305326
2-methyl-N-(6-nitronaphthalen-1-yl)propanamide
CID 163232974
9-(6-nitronaphthalen-2-yl)anthracene
CID 174679539
1H-indole;5-nitro-1H-indole
CID 172790290
1-chloro-3-nitronaphthalene
CID 13462997
3-naphthalen-1-yl-5-(3-nitrophenyl)phenol
CID 10640969
1,6-bis(4-nitrophenoxy)naphthalene
CID 54368809
2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene
CID 71347660

Frequently Asked Questions

What is the IUPAC name of 6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene?
The IUPAC name of 6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene (CID 174928469) is 6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene.
What is the SMILES notation for 6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene?
The canonical SMILES for 6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene is O=[N+]([O-])c1ccc2c(-c3cccc4cc([N+](=O)[O-])ccc34)cccc2c1.
What is the InChIKey of 6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene?
The InChIKey is PQEHIYJHDPOBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O4/c23-21(24)15-7-9-17-13(11-15)3-1-5-19(17)20-6-2-4-14-12-16(22(25)26)8-10-18(14)20/h1-12H.
What are the key properties of 6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene?
6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene has a molecular weight of 344.33 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene is sourced from PubChem (CID 174928469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).