N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine

C28H20ClN — CID 142730115

IUPACN-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine
SMILESClc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C28H20ClN/c29-24-15-19-26(20-16-24)30(28-12-6-10-23-9-4-5-11-27(23)28)25-17-13-22(14-18-25)21-7-2-1-3-8-21/h1-20H
InChIKeyFXVIQFVIEYJTFR-UHFFFAOYSA-N
MW405.93 g/mol
LogP8.63
Rot. Bonds4

About N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine

N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 142730115) has the molecular formula C28H20ClN and a molecular weight of 405.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID142730115
Molecular FormulaC28H20ClN
Molecular Weight405.93 g/mol
Exact Mass405.13
IUPAC NameN-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine
SMILESClc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C28H20ClN/c29-24-15-19-26(20-16-24)30(28-12-6-10-23-9-4-5-11-27(23)28)25-17-13-22(14-18-25)21-7-2-1-3-8-21/h1-20H
InChIKeyFXVIQFVIEYJTFR-UHFFFAOYSA-N
XLogP8.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.93
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine (CID 142730115) is N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine is Clc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is FXVIQFVIEYJTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClN/c29-24-15-19-26(20-16-24)30(28-12-6-10-23-9-4-5-11-27(23)28)25-17-13-22(14-18-25)21-7-2-1-3-8-21/h1-20H.
What are the key properties of N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine?
N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 405.93 g/mol, XLogP of 8.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 142730115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).