4-(2-nitrophenyl)benzo[c]phenanthrene

C24H15NO2 — CID 154597914

IUPAC4-(2-nitrophenyl)benzo[c]phenanthrene
SMILESO=[N+]([O-])c1ccccc1-c1cccc2c1ccc1ccc3ccccc3c12
InChIInChI=1S/C24H15NO2/c26-25(27)23-11-4-3-8-21(23)19-9-5-10-22-20(19)15-14-17-13-12-16-6-1-2-7-18(16)24(17)22/h1-15H
InChIKeyLFCAGCFIRHPEGX-UHFFFAOYSA-N
MW349.39 g/mol
LogP6.72
Rot. Bonds2

About 4-(2-nitrophenyl)benzo[c]phenanthrene

4-(2-nitrophenyl)benzo[c]phenanthrene (PubChem CID 154597914) has the molecular formula C24H15NO2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-(2-nitrophenyl)benzo[c]phenanthrene.

Molecular Properties

Compound Name4-(2-nitrophenyl)benzo[c]phenanthrene
PubChem CID154597914
Molecular FormulaC24H15NO2
Molecular Weight349.39 g/mol
Exact Mass349.11
IUPAC Name4-(2-nitrophenyl)benzo[c]phenanthrene
SMILESO=[N+]([O-])c1ccccc1-c1cccc2c1ccc1ccc3ccccc3c12
InChIInChI=1S/C24H15NO2/c26-25(27)23-11-4-3-8-21(23)19-9-5-10-22-20(19)15-14-17-13-12-16-6-1-2-7-18(16)24(17)22/h1-15H
InChIKeyLFCAGCFIRHPEGX-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_3', 'substructure': 'N/A'}

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Related Compounds

4-nitrophenanthrene
CID 139058403
2-(2-nitrophenyl)naphthalen-1-amine
CID 91493820
2-(2-nitrophenyl)naphthalene-1-carbaldehyde
CID 10778882
1-nitronaphthalene;hydrate
CID 174470741
1-bromo-5-(2-nitrophenyl)naphthalene
CID 118332360
11-(2-nitrophenyl)-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 134338033
1-(5-fluoro-2-nitrophenyl)naphthalene
CID 121246133
3-naphthalen-1-yl-4-nitrophenol
CID 57178069
formonitrile;1-nitronaphthalene
CID 174387830
1-methyl-4-(2-nitrophenyl)naphthalene
CID 66585246
1-naphthalen-1-yl-2,5-bis(2-nitrophenyl)pyrrole
CID 141232861
1,1'-biphenyl;1-nitronaphthalene
CID 174805071

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitrophenyl)benzo[c]phenanthrene?
The IUPAC name of 4-(2-nitrophenyl)benzo[c]phenanthrene (CID 154597914) is 4-(2-nitrophenyl)benzo[c]phenanthrene.
What is the SMILES notation for 4-(2-nitrophenyl)benzo[c]phenanthrene?
The canonical SMILES for 4-(2-nitrophenyl)benzo[c]phenanthrene is O=[N+]([O-])c1ccccc1-c1cccc2c1ccc1ccc3ccccc3c12.
What is the InChIKey of 4-(2-nitrophenyl)benzo[c]phenanthrene?
The InChIKey is LFCAGCFIRHPEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO2/c26-25(27)23-11-4-3-8-21(23)19-9-5-10-22-20(19)15-14-17-13-12-16-6-1-2-7-18(16)24(17)22/h1-15H.
What are the key properties of 4-(2-nitrophenyl)benzo[c]phenanthrene?
4-(2-nitrophenyl)benzo[c]phenanthrene 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 4-(2-nitrophenyl)benzo[c]phenanthrene is sourced from PubChem (CID 154597914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).