2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline

C28H21N — CID 69242330

IUPAC2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
SMILESNc1ccccc1-c1ccccc1-c1ccccc1-c1cccc2ccccc12
InChIInChI=1S/C28H21N/c29-28-19-8-7-17-27(28)26-16-6-5-15-25(26)24-14-4-3-13-23(24)22-18-9-11-20-10-1-2-12-21(20)22/h1-19H,29H2
InChIKeyJJYFENZMLXPQDQ-UHFFFAOYSA-N
MW371.48 g/mol
LogP7.42
Rot. Bonds3

About 2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline

2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline (PubChem CID 69242330) has the molecular formula C28H21N and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
PubChem CID69242330
Molecular FormulaC28H21N
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC Name2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
SMILESNc1ccccc1-c1ccccc1-c1ccccc1-c1cccc2ccccc12
InChIInChI=1S/C28H21N/c29-28-19-8-7-17-27(28)26-16-6-5-15-25(26)24-14-4-3-13-23(24)22-18-9-11-20-10-1-2-12-21(20)22/h1-19H,29H2
InChIKeyJJYFENZMLXPQDQ-UHFFFAOYSA-N
XLogP7.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
2-isoquinolin-5-ylaniline
CID 62812627
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
CID 135259743
CID 135259743
2-(2-naphthalen-1-ylphenyl)phenol
CID 122204114
1-(2-aminophenyl)naphthalen-2-amine
CID 11424829
azane;naphthalen-1-amine;dihydrochloride
CID 142719941

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline?
The IUPAC name of 2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline (CID 69242330) is 2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline.
What is the SMILES notation for 2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline?
The canonical SMILES for 2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline is Nc1ccccc1-c1ccccc1-c1ccccc1-c1cccc2ccccc12.
What is the InChIKey of 2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline?
The InChIKey is JJYFENZMLXPQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N/c29-28-19-8-7-17-27(28)26-16-6-5-15-25(26)24-14-4-3-13-23(24)22-18-9-11-20-10-1-2-12-21(20)22/h1-19H,29H2.
What are the key properties of 2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline?
2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline has a molecular weight of 371.48 g/mol, XLogP of 7.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline is sourced from PubChem (CID 69242330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).