1,1'-biphenyl;1-nitronaphthalene

C22H17NO2 — CID 174805071

IUPAC1,1'-biphenyl;1-nitronaphthalene
SMILESO=[N+]([O-])c1cccc2ccccc12.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C10H7NO2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-10H;1-7H
InChIKeySIXOIZPRWKHRQN-UHFFFAOYSA-N
MW327.38 g/mol
LogP6.10
Rot. Bonds2

About 1,1'-biphenyl;1-nitronaphthalene

1,1'-biphenyl;1-nitronaphthalene (PubChem CID 174805071) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1,1'-biphenyl;1-nitronaphthalene.

Molecular Properties

Compound Name1,1'-biphenyl;1-nitronaphthalene
PubChem CID174805071
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name1,1'-biphenyl;1-nitronaphthalene
SMILESO=[N+]([O-])c1cccc2ccccc12.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C10H7NO2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-10H;1-7H
InChIKeySIXOIZPRWKHRQN-UHFFFAOYSA-N
XLogP6.10
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 56.10
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'}

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Related Compounds

1-nitronaphthalene;hydrate
CID 174470741
formonitrile;1-nitronaphthalene
CID 174387830
azanylidyneazanium;1-nitronaphthalene;chloride
CID 23454944
4-nitrophenanthrene
CID 139058403
naphthalen-1-yl-(2-nitrophenyl)methanone
CID 22366378
(2-azidophenyl)-phenyldiazene;1-nitronaphthalene
CID 159930527
9-[2-(5-nitronaphthalen-1-yl)ethynyl]anthracene
CID 132574578
1-methoxy-2-nitronaphthalene
CID 10899709
8-nitroisoquinolin-2-ium
CID 21436749
1,5,9-trinitrotriphenylene
CID 86227277
4-(2-nitrophenyl)benzo[c]phenanthrene
CID 154597914
4-nitro-2-phenyl-1H-indole
CID 14960157

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1-nitronaphthalene?
The IUPAC name of 1,1'-biphenyl;1-nitronaphthalene (CID 174805071) is 1,1'-biphenyl;1-nitronaphthalene.
What is the SMILES notation for 1,1'-biphenyl;1-nitronaphthalene?
The canonical SMILES for 1,1'-biphenyl;1-nitronaphthalene is O=[N+]([O-])c1cccc2ccccc12.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1-nitronaphthalene?
The InChIKey is SIXOIZPRWKHRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C10H7NO2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-10H;1-7H.
What are the key properties of 1,1'-biphenyl;1-nitronaphthalene?
1,1'-biphenyl;1-nitronaphthalene has a molecular weight of 327.38 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1-nitronaphthalene is sourced from PubChem (CID 174805071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).