5-chloro-2-[5-(4-chloro-2-nitrosophenyl)naphthalen-1-yl]aniline;ethane

C28H32Cl2N2O — CID 142358967

IUPAC5-chloro-2-[5-(4-chloro-2-nitrosophenyl)naphthalen-1-yl]aniline;ethane
SMILESCC.CC.CC.Nc1cc(Cl)ccc1-c1cccc2c(-c3ccc(Cl)cc3N=O)cccc12
InChIInChI=1S/C22H14Cl2N2O.3C2H6/c23-13-7-9-19(21(25)11-13)17-5-1-4-16-15(17)3-2-6-18(16)20-10-8-14(24)12-22(20)26-27;3*1-2/h1-12H,25H2;3*1-2H3
InChIKeyVUOSIIXCUKWVMJ-UHFFFAOYSA-N
MW483.48 g/mol
LogP10.54
Rot. Bonds3

About 5-chloro-2-[5-(4-chloro-2-nitrosophenyl)naphthalen-1-yl]aniline;ethane

5-chloro-2-[5-(4-chloro-2-nitrosophenyl)naphthalen-1-yl]aniline;ethane (PubChem CID 142358967) has the molecular formula C28H32Cl2N2O and a molecular weight of 483.48 g/mol. Its IUPAC name is 5-chloro-2-[5-(4-chloro-2-nitrosophenyl)naphthalen-1-yl]aniline;ethane.

Molecular Properties

Compound Name5-chloro-2-[5-(4-chloro-2-nitrosophenyl)naphthalen-1-yl]aniline;ethane
PubChem CID142358967
Molecular FormulaC28H32Cl2N2O
Molecular Weight483.48 g/mol
Exact Mass482.19
IUPAC Name5-chloro-2-[5-(4-chloro-2-nitrosophenyl)naphthalen-1-yl]aniline;ethane
SMILESCC.CC.CC.Nc1cc(Cl)ccc1-c1cccc2c(-c3ccc(Cl)cc3N=O)cccc12
InChIInChI=1S/C22H14Cl2N2O.3C2H6/c23-13-7-9-19(21(25)11-13)17-5-1-4-16-15(17)3-2-6-18(16)20-10-8-14(24)12-22(20)26-27;3*1-2/h1-12H,25H2;3*1-2H3
InChIKeyVUOSIIXCUKWVMJ-UHFFFAOYSA-N
XLogP10.54
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.48
LogP ≤ 510.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[5-(4-chloro-2-nitrosophenyl)naphthalen-1-yl]aniline;ethane?
The IUPAC name of 5-chloro-2-[5-(4-chloro-2-nitrosophenyl)naphthalen-1-yl]aniline;ethane (CID 142358967) is 5-chloro-2-[5-(4-chloro-2-nitrosophenyl)naphthalen-1-yl]aniline;ethane.
What is the SMILES notation for 5-chloro-2-[5-(4-chloro-2-nitrosophenyl)naphthalen-1-yl]aniline;ethane?
The canonical SMILES for 5-chloro-2-[5-(4-chloro-2-nitrosophenyl)naphthalen-1-yl]aniline;ethane is CC.CC.CC.Nc1cc(Cl)ccc1-c1cccc2c(-c3ccc(Cl)cc3N=O)cccc12.
What is the InChIKey of 5-chloro-2-[5-(4-chloro-2-nitrosophenyl)naphthalen-1-yl]aniline;ethane?
The InChIKey is VUOSIIXCUKWVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2O.3C2H6/c23-13-7-9-19(21(25)11-13)17-5-1-4-16-15(17)3-2-6-18(16)20-10-8-14(24)12-22(20)26-27;3*1-2/h1-12H,25H2;3*1-2H3.
What are the key properties of 5-chloro-2-[5-(4-chloro-2-nitrosophenyl)naphthalen-1-yl]aniline;ethane?
5-chloro-2-[5-(4-chloro-2-nitrosophenyl)naphthalen-1-yl]aniline;ethane has a molecular weight of 483.48 g/mol, XLogP of 10.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[5-(4-chloro-2-nitrosophenyl)naphthalen-1-yl]aniline;ethane is sourced from PubChem (CID 142358967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).