2-phenanthren-3-ylaniline

C20H15N — CID 118107877

IUPAC2-phenanthren-3-ylaniline
SMILESNc1ccccc1-c1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C20H15N/c21-20-8-4-3-7-18(20)16-12-11-15-10-9-14-5-1-2-6-17(14)19(15)13-16/h1-13H,21H2
InChIKeyLFMKHFNOGBGMBN-UHFFFAOYSA-N
MW269.35 g/mol
LogP5.24
Rot. Bonds1

About 2-phenanthren-3-ylaniline

2-phenanthren-3-ylaniline (PubChem CID 118107877) has the molecular formula C20H15N and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-phenanthren-3-ylaniline.

Molecular Properties

Compound Name2-phenanthren-3-ylaniline
PubChem CID118107877
Molecular FormulaC20H15N
Molecular Weight269.35 g/mol
Exact Mass269.12
IUPAC Name2-phenanthren-3-ylaniline
SMILESNc1ccccc1-c1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C20H15N/c21-20-8-4-3-7-18(20)16-12-11-15-10-9-14-5-1-2-6-17(14)19(15)13-16/h1-13H,21H2
InChIKeyLFMKHFNOGBGMBN-UHFFFAOYSA-N
XLogP5.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.35
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(4-naphthalen-2-ylphenyl)aniline
CID 150273295
1-picen-2-ylpicene
CID 173311295
1-(2-aminophenyl)naphthalen-2-amine
CID 11424829
2-[3-(2-aminophenyl)phenyl]aniline
CID 69336555
3-(4-chloronaphthalen-1-yl)phenanthrene
CID 177271223
3-(6-phenanthren-3-ylphenanthren-2-yl)chrysene
CID 123221048
2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 69242330
3-(7-phenanthren-2-ylphenanthren-2-yl)chrysene
CID 123286443
2-fluoro-4-naphthalen-1-ylaniline
CID 54912687
azane;tricyclo[4.4.0.02,9]deca-1(6),2,4,7,9-pentaene
CID 19797807
3-chrysen-3-yl-9-phenylchrysene
CID 140818401
2-methyl-4-naphthalen-1-ylaniline
CID 54912725

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-3-ylaniline?
The IUPAC name of 2-phenanthren-3-ylaniline (CID 118107877) is 2-phenanthren-3-ylaniline.
What is the SMILES notation for 2-phenanthren-3-ylaniline?
The canonical SMILES for 2-phenanthren-3-ylaniline is Nc1ccccc1-c1ccc2ccc3ccccc3c2c1.
What is the InChIKey of 2-phenanthren-3-ylaniline?
The InChIKey is LFMKHFNOGBGMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N/c21-20-8-4-3-7-18(20)16-12-11-15-10-9-14-5-1-2-6-17(14)19(15)13-16/h1-13H,21H2.
What are the key properties of 2-phenanthren-3-ylaniline?
2-phenanthren-3-ylaniline has a molecular weight of 269.35 g/mol, XLogP of 5.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-3-ylaniline is sourced from PubChem (CID 118107877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).