2,6-bis(4-nitrosophenyl)anthracene

C26H16N2O2 — CID 174243904

IUPAC2,6-bis(4-nitrosophenyl)anthracene
SMILESO=Nc1ccc(-c2ccc3cc4cc(-c5ccc(N=O)cc5)ccc4cc3c2)cc1
InChIInChI=1S/C26H16N2O2/c29-27-25-9-5-17(6-10-25)19-1-3-21-15-24-14-20(2-4-22(24)16-23(21)13-19)18-7-11-26(28-30)12-8-18/h1-16H
InChIKeySSGRWTUSFKUAME-UHFFFAOYSA-N
MW388.43 g/mol
LogP8.12
Rot. Bonds4

About 2,6-bis(4-nitrosophenyl)anthracene

2,6-bis(4-nitrosophenyl)anthracene (PubChem CID 174243904) has the molecular formula C26H16N2O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2,6-bis(4-nitrosophenyl)anthracene.

Molecular Properties

Compound Name2,6-bis(4-nitrosophenyl)anthracene
PubChem CID174243904
Molecular FormulaC26H16N2O2
Molecular Weight388.43 g/mol
Exact Mass388.12
IUPAC Name2,6-bis(4-nitrosophenyl)anthracene
SMILESO=Nc1ccc(-c2ccc3cc4cc(-c5ccc(N=O)cc5)ccc4cc3c2)cc1
InChIInChI=1S/C26H16N2O2/c29-27-25-9-5-17(6-10-25)19-1-3-21-15-24-14-20(2-4-22(24)16-23(21)13-19)18-7-11-26(28-30)12-8-18/h1-16H
InChIKeySSGRWTUSFKUAME-UHFFFAOYSA-N
XLogP8.12
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,7-diphenylanthracene
CID 154020316
1-(4-methylphenyl)-3,5-bis(4-nitrosophenyl)benzene
CID 174243858
1-tert-butyl-4-(4-nitrosophenyl)benzene
CID 3025980
2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 143886275
2-methyl-6-(6-methylnaphthalen-2-yl)anthracene
CID 140780842
N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline
CID 58900733
7,20-bis(4-methylphenyl)hexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20,23,25-tridecaene
CID 58411439
N-(4-nitrosophenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176915624
5-[6-(3,5-dicarboxyphenyl)anthracen-2-yl]benzene-1,3-dicarboxylic acid
CID 102105468
3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene
CID 59805099
2-nitro-7-phenylanthracene
CID 54232737
benzo[f]azulene
CID 13065869

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-nitrosophenyl)anthracene?
The IUPAC name of 2,6-bis(4-nitrosophenyl)anthracene (CID 174243904) is 2,6-bis(4-nitrosophenyl)anthracene.
What is the SMILES notation for 2,6-bis(4-nitrosophenyl)anthracene?
The canonical SMILES for 2,6-bis(4-nitrosophenyl)anthracene is O=Nc1ccc(-c2ccc3cc4cc(-c5ccc(N=O)cc5)ccc4cc3c2)cc1.
What is the InChIKey of 2,6-bis(4-nitrosophenyl)anthracene?
The InChIKey is SSGRWTUSFKUAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O2/c29-27-25-9-5-17(6-10-25)19-1-3-21-15-24-14-20(2-4-22(24)16-23(21)13-19)18-7-11-26(28-30)12-8-18/h1-16H.
What are the key properties of 2,6-bis(4-nitrosophenyl)anthracene?
2,6-bis(4-nitrosophenyl)anthracene has a molecular weight of 388.43 g/mol, XLogP of 8.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-nitrosophenyl)anthracene is sourced from PubChem (CID 174243904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).