2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene

C22H14ClNO2 — CID 171044125

IUPAC2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene
SMILESO=[N+]([O-])c1cccc(Cl)c1-c1ccccc1-c1ccc2ccccc2c1
InChIInChI=1S/C22H14ClNO2/c23-20-10-5-11-21(24(25)26)22(20)19-9-4-3-8-18(19)17-13-12-15-6-1-2-7-16(15)14-17/h1-14H
InChIKeyHMFJECZDNNVJGL-UHFFFAOYSA-N
MW359.81 g/mol
LogP6.74
Rot. Bonds3

About 2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene

2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene (PubChem CID 171044125) has the molecular formula C22H14ClNO2 and a molecular weight of 359.81 g/mol. Its IUPAC name is 2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene.

Molecular Properties

Compound Name2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene
PubChem CID171044125
Molecular FormulaC22H14ClNO2
Molecular Weight359.81 g/mol
Exact Mass359.07
IUPAC Name2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene
SMILESO=[N+]([O-])c1cccc(Cl)c1-c1ccccc1-c1ccc2ccccc2c1
InChIInChI=1S/C22H14ClNO2/c23-20-10-5-11-21(24(25)26)22(20)19-9-4-3-8-18(19)17-13-12-15-6-1-2-7-16(15)14-17/h1-14H
InChIKeyHMFJECZDNNVJGL-UHFFFAOYSA-N
XLogP6.74
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.81
LogP ≤ 56.74
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

1,3,5-trichloro-2-(2-chloro-6-nitrophenyl)benzene
CID 134621032
7-(2-chloro-6-nitrophenyl)-2,3-diphenyl-1H-indole
CID 156627187
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
1-(2,6-dichlorophenyl)-2-(4-methylphenyl)-3-nitro-5-(2-nitrophenyl)-4-(4-propan-2-ylphenyl)benzene
CID 141086818
9,10-bis(2-naphthalen-1-ylphenyl)anthracene;9,10-bis(2-naphthalen-2-ylphenyl)anthracene
CID 160569963
2-chloro-4-(2-nitrophenyl)benzoic acid
CID 70699639
2-[2-[4-(4-chlorophenyl)phenyl]phenyl]naphthalene
CID 178067173
2-(2-hydroxy-3-naphthalen-2-ylphenyl)-6-naphthalen-2-ylphenol
CID 24741043
9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 144568902
(5-naphthalen-2-yl-2-nitrophenyl)boronic acid
CID 140808573
2,5-bis(2,6-dichlorophenyl)-3-nitropyridine
CID 133087508
2-chloro-3-(3-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 86035630

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene?
The IUPAC name of 2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene (CID 171044125) is 2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene.
What is the SMILES notation for 2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene?
The canonical SMILES for 2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene is O=[N+]([O-])c1cccc(Cl)c1-c1ccccc1-c1ccc2ccccc2c1.
What is the InChIKey of 2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene?
The InChIKey is HMFJECZDNNVJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClNO2/c23-20-10-5-11-21(24(25)26)22(20)19-9-4-3-8-18(19)17-13-12-15-6-1-2-7-16(15)14-17/h1-14H.
What are the key properties of 2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene?
2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene has a molecular weight of 359.81 g/mol, XLogP of 6.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene is sourced from PubChem (CID 171044125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).