9-(6-nitronaphthalen-2-yl)anthracene

C24H15NO2 — CID 174679539

IUPAC9-(6-nitronaphthalen-2-yl)anthracene
SMILESO=[N+]([O-])c1ccc2cc(-c3c4ccccc4cc4ccccc34)ccc2c1
InChIInChI=1S/C24H15NO2/c26-25(27)21-12-11-16-13-20(10-9-17(16)15-21)24-22-7-3-1-5-18(22)14-19-6-2-4-8-23(19)24/h1-15H
InChIKeyOBCMEVFEFTWOFL-UHFFFAOYSA-N
MW349.39 g/mol
LogP6.72
Rot. Bonds2

About 9-(6-nitronaphthalen-2-yl)anthracene

9-(6-nitronaphthalen-2-yl)anthracene (PubChem CID 174679539) has the molecular formula C24H15NO2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 9-(6-nitronaphthalen-2-yl)anthracene.

Molecular Properties

Compound Name9-(6-nitronaphthalen-2-yl)anthracene
PubChem CID174679539
Molecular FormulaC24H15NO2
Molecular Weight349.39 g/mol
Exact Mass349.11
IUPAC Name9-(6-nitronaphthalen-2-yl)anthracene
SMILESO=[N+]([O-])c1ccc2cc(-c3c4ccccc4cc4ccccc34)ccc2c1
InChIInChI=1S/C24H15NO2/c26-25(27)21-12-11-16-13-20(10-9-17(16)15-21)24-22-7-3-1-5-18(22)14-19-6-2-4-8-23(19)24/h1-15H
InChIKeyOBCMEVFEFTWOFL-UHFFFAOYSA-N
XLogP6.72
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.39
LogP ≤ 56.72
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

2-nitro-7-phenylanthracene
CID 54232737
9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 86701353
3-nitroanthracen-9-ol
CID 22457424
bis(1-benzothiophene);10-(6-nitronaphthalen-2-yl)anthracene-9-sulfinate
CID 174679537
2,3-bis(4-nitrophenyl)naphthalen-1-amine
CID 139604402
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene
CID 71347660
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene
CID 174928469
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
1-chloro-3-nitronaphthalene
CID 13462997

Frequently Asked Questions

What is the IUPAC name of 9-(6-nitronaphthalen-2-yl)anthracene?
The IUPAC name of 9-(6-nitronaphthalen-2-yl)anthracene (CID 174679539) is 9-(6-nitronaphthalen-2-yl)anthracene.
What is the SMILES notation for 9-(6-nitronaphthalen-2-yl)anthracene?
The canonical SMILES for 9-(6-nitronaphthalen-2-yl)anthracene is O=[N+]([O-])c1ccc2cc(-c3c4ccccc4cc4ccccc34)ccc2c1.
What is the InChIKey of 9-(6-nitronaphthalen-2-yl)anthracene?
The InChIKey is OBCMEVFEFTWOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO2/c26-25(27)21-12-11-16-13-20(10-9-17(16)15-21)24-22-7-3-1-5-18(22)14-19-6-2-4-8-23(19)24/h1-15H.
What are the key properties of 9-(6-nitronaphthalen-2-yl)anthracene?
9-(6-nitronaphthalen-2-yl)anthracene has a molecular weight of 349.39 g/mol, XLogP of 6.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-nitronaphthalen-2-yl)anthracene is sourced from PubChem (CID 174679539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).