2-nitro-7-phenylanthracene

C20H13NO2 — CID 54232737

IUPAC2-nitro-7-phenylanthracene
SMILESO=[N+]([O-])c1ccc2cc3ccc(-c4ccccc4)cc3cc2c1
InChIInChI=1S/C20H13NO2/c22-21(23)20-9-8-17-10-16-7-6-15(14-4-2-1-3-5-14)11-18(16)12-19(17)13-20/h1-13H
InChIKeyKUFCOYJBVFKSSL-UHFFFAOYSA-N
MW299.33 g/mol
LogP5.57
Rot. Bonds2

About 2-nitro-7-phenylanthracene

2-nitro-7-phenylanthracene (PubChem CID 54232737) has the molecular formula C20H13NO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-nitro-7-phenylanthracene.

Molecular Properties

Compound Name2-nitro-7-phenylanthracene
PubChem CID54232737
Molecular FormulaC20H13NO2
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name2-nitro-7-phenylanthracene
SMILESO=[N+]([O-])c1ccc2cc3ccc(-c4ccccc4)cc3cc2c1
InChIInChI=1S/C20H13NO2/c22-21(23)20-9-8-17-10-16-7-6-15(14-4-2-1-3-5-14)11-18(16)12-19(17)13-20/h1-13H
InChIKeyKUFCOYJBVFKSSL-UHFFFAOYSA-N
XLogP5.57
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.33
LogP ≤ 55.57
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(6-nitronaphthalen-2-yl)anthracene
CID 174679539
2,7-diphenylanthracene
CID 154020316
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
7-nitro-3-phenylisoquinoline
CID 102237044
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
bis(1-nitro-4-phenylbenzene);sulfur dioxide
CID 174751271
8-nitrotetracen-2-amine
CID 101022943
2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 143886275
2,6-dinaphthalen-2-yl-4-(4-nitrophenyl)pyrylium
CID 101269925
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844

Frequently Asked Questions

What is the IUPAC name of 2-nitro-7-phenylanthracene?
The IUPAC name of 2-nitro-7-phenylanthracene (CID 54232737) is 2-nitro-7-phenylanthracene.
What is the SMILES notation for 2-nitro-7-phenylanthracene?
The canonical SMILES for 2-nitro-7-phenylanthracene is O=[N+]([O-])c1ccc2cc3ccc(-c4ccccc4)cc3cc2c1.
What is the InChIKey of 2-nitro-7-phenylanthracene?
The InChIKey is KUFCOYJBVFKSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2/c22-21(23)20-9-8-17-10-16-7-6-15(14-4-2-1-3-5-14)11-18(16)12-19(17)13-20/h1-13H.
What are the key properties of 2-nitro-7-phenylanthracene?
2-nitro-7-phenylanthracene has a molecular weight of 299.33 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-7-phenylanthracene is sourced from PubChem (CID 54232737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).