4-(9,10-dideuterioanthracen-2-yl)aniline

C20H15N — CID 165150289

IUPAC4-(9,10-dideuterioanthracen-2-yl)aniline
SMILES[2H]c1c2ccccc2c([2H])c2cc(-c3ccc(N)cc3)ccc12
InChIInChI=1S/C20H15N/c21-20-9-7-14(8-10-20)17-5-6-18-11-15-3-1-2-4-16(15)12-19(18)13-17/h1-13H,21H2/i11D,12D
InChIKeyVUVMBASZGWDZMW-USUSYXOVSA-N
MW271.36 g/mol
LogP5.24
Rot. Bonds1

About 4-(9,10-dideuterioanthracen-2-yl)aniline

4-(9,10-dideuterioanthracen-2-yl)aniline (PubChem CID 165150289) has the molecular formula C20H15N and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(9,10-dideuterioanthracen-2-yl)aniline.

Molecular Properties

Compound Name4-(9,10-dideuterioanthracen-2-yl)aniline
PubChem CID165150289
Molecular FormulaC20H15N
Molecular Weight271.36 g/mol
Exact Mass271.13
IUPAC Name4-(9,10-dideuterioanthracen-2-yl)aniline
SMILES[2H]c1c2ccccc2c([2H])c2cc(-c3ccc(N)cc3)ccc12
InChIInChI=1S/C20H15N/c21-20-9-7-14(8-10-20)17-5-6-18-11-15-3-1-2-4-16(15)12-19(18)13-17/h1-13H,21H2/i11D,12D
InChIKeyVUVMBASZGWDZMW-USUSYXOVSA-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 ≤ 500271.36
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_2', 'substructure': 'N/A'}

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Related Compounds

ethane;4-naphthalen-2-ylaniline;prop-1-ene
CID 145312998
4-deuterio-6-naphthalen-2-ylnaphthalen-2-amine
CID 164939306
4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline
CID 87150569
4-[4-[4-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline
CID 100927234
benzo[f]azulene
CID 13065869
4-quinolin-1-ium-3-ylaniline
CID 161422242
4-[3,5-bis(4-aminophenyl)phenyl]aniline
CID 12058813
2-(4-naphthalen-2-ylphenyl)aniline
CID 150273295
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
aniline;naphthalen-2-amine
CID 158733233
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
4-(6-aminonaphthalen-2-yl)phenol
CID 59449860

Frequently Asked Questions

What is the IUPAC name of 4-(9,10-dideuterioanthracen-2-yl)aniline?
The IUPAC name of 4-(9,10-dideuterioanthracen-2-yl)aniline (CID 165150289) is 4-(9,10-dideuterioanthracen-2-yl)aniline.
What is the SMILES notation for 4-(9,10-dideuterioanthracen-2-yl)aniline?
The canonical SMILES for 4-(9,10-dideuterioanthracen-2-yl)aniline is [2H]c1c2ccccc2c([2H])c2cc(-c3ccc(N)cc3)ccc12.
What is the InChIKey of 4-(9,10-dideuterioanthracen-2-yl)aniline?
The InChIKey is VUVMBASZGWDZMW-USUSYXOVSA-N. The full InChI is InChI=1S/C20H15N/c21-20-9-7-14(8-10-20)17-5-6-18-11-15-3-1-2-4-16(15)12-19(18)13-17/h1-13H,21H2/i11D,12D.
What are the key properties of 4-(9,10-dideuterioanthracen-2-yl)aniline?
4-(9,10-dideuterioanthracen-2-yl)aniline has a molecular weight of 271.36 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 4-(9,10-dideuterioanthracen-2-yl)aniline is sourced from PubChem (CID 165150289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).