N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine

C28H21N — CID 58672315

IUPACN-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2cccc(-c3ccc(Nc4cccc5ccccc45)cc3)c2)cc1
InChIInChI=1S/C28H21N/c1-2-8-21(9-3-1)24-12-6-13-25(20-24)22-16-18-26(19-17-22)29-28-15-7-11-23-10-4-5-14-27(23)28/h1-20,29H
InChIKeyYMIOEUYEZYIRME-UHFFFAOYSA-N
MW371.48 g/mol
LogP7.92
Rot. Bonds4

About N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine

N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 58672315) has the molecular formula C28H21N and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
PubChem CID58672315
Molecular FormulaC28H21N
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC NameN-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2cccc(-c3ccc(Nc4cccc5ccccc45)cc3)c2)cc1
InChIInChI=1S/C28H21N/c1-2-8-21(9-3-1)24-12-6-13-25(20-24)22-16-18-26(19-17-22)29-28-15-7-11-23-10-4-5-14-27(23)28/h1-20,29H
InChIKeyYMIOEUYEZYIRME-UHFFFAOYSA-N
XLogP7.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine (CID 58672315) is N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine is c1ccc(-c2cccc(-c3ccc(Nc4cccc5ccccc45)cc3)c2)cc1.
What is the InChIKey of N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is YMIOEUYEZYIRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N/c1-2-8-21(9-3-1)24-12-6-13-25(20-24)22-16-18-26(19-17-22)29-28-15-7-11-23-10-4-5-14-27(23)28/h1-20,29H.
What are the key properties of N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine?
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 371.48 g/mol, XLogP of 7.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 58672315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).