4-chloro-5-(4-phenylphenyl)benzene-1,2-diamine

C18H15ClN2 — CID 58387188

IUPAC4-chloro-5-(4-phenylphenyl)benzene-1,2-diamine
SMILESNc1cc(Cl)c(-c2ccc(-c3ccccc3)cc2)cc1N
InChIInChI=1S/C18H15ClN2/c19-16-11-18(21)17(20)10-15(16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,20-21H2
InChIKeyVAGBNESRRFLHIA-UHFFFAOYSA-N
MW294.79 g/mol
LogP4.84
Rot. Bonds2

About 4-chloro-5-(4-phenylphenyl)benzene-1,2-diamine

4-chloro-5-(4-phenylphenyl)benzene-1,2-diamine (PubChem CID 58387188) has the molecular formula C18H15ClN2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 4-chloro-5-(4-phenylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-5-(4-phenylphenyl)benzene-1,2-diamine
PubChem CID58387188
Molecular FormulaC18H15ClN2
Molecular Weight294.79 g/mol
Exact Mass294.09
IUPAC Name4-chloro-5-(4-phenylphenyl)benzene-1,2-diamine
SMILESNc1cc(Cl)c(-c2ccc(-c3ccccc3)cc2)cc1N
InChIInChI=1S/C18H15ClN2/c19-16-11-18(21)17(20)10-15(16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,20-21H2
InChIKeyVAGBNESRRFLHIA-UHFFFAOYSA-N
XLogP4.84
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-phenylphenyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-5-(4-phenylphenyl)benzene-1,2-diamine (CID 58387188) is 4-chloro-5-(4-phenylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-5-(4-phenylphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-5-(4-phenylphenyl)benzene-1,2-diamine is Nc1cc(Cl)c(-c2ccc(-c3ccccc3)cc2)cc1N.
What is the InChIKey of 4-chloro-5-(4-phenylphenyl)benzene-1,2-diamine?
The InChIKey is VAGBNESRRFLHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2/c19-16-11-18(21)17(20)10-15(16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,20-21H2.
What are the key properties of 4-chloro-5-(4-phenylphenyl)benzene-1,2-diamine?
4-chloro-5-(4-phenylphenyl)benzene-1,2-diamine has a molecular weight of 294.79 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-phenylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 58387188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).