4-[3-(2-fluoroethoxy)phenyl]-N,N-diphenylaniline

C26H22FNO — CID 89119599

IUPAC4-[3-(2-fluoroethoxy)phenyl]-N,N-diphenylaniline
SMILESFCCOc1cccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C26H22FNO/c27-18-19-29-26-13-7-8-22(20-26)21-14-16-25(17-15-21)28(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-17,20H,18-19H2
InChIKeyWZHOKNOBXDLEHQ-UHFFFAOYSA-N
MW383.47 g/mol
LogP7.17
Rot. Bonds7

About 4-[3-(2-fluoroethoxy)phenyl]-N,N-diphenylaniline

4-[3-(2-fluoroethoxy)phenyl]-N,N-diphenylaniline (PubChem CID 89119599) has the molecular formula C26H22FNO and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-[3-(2-fluoroethoxy)phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[3-(2-fluoroethoxy)phenyl]-N,N-diphenylaniline
PubChem CID89119599
Molecular FormulaC26H22FNO
Molecular Weight383.47 g/mol
Exact Mass383.17
IUPAC Name4-[3-(2-fluoroethoxy)phenyl]-N,N-diphenylaniline
SMILESFCCOc1cccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C26H22FNO/c27-18-19-29-26-13-7-8-22(20-26)21-14-16-25(17-15-21)28(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-17,20H,18-19H2
InChIKeyWZHOKNOBXDLEHQ-UHFFFAOYSA-N
XLogP7.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.47
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methoxyphenyl)-N,N-diphenylaniline
CID 175141155
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446
N-phenyl-N-(4-phenylphenyl)-3-prop-2-enoxyaniline
CID 102280178
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 134370557
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline
CID 58672379
4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118314823
[3-[4-(N-phenylanilino)phenyl]phenyl] formate
CID 58803548
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluoroethoxy)phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[3-(2-fluoroethoxy)phenyl]-N,N-diphenylaniline (CID 89119599) is 4-[3-(2-fluoroethoxy)phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[3-(2-fluoroethoxy)phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[3-(2-fluoroethoxy)phenyl]-N,N-diphenylaniline is FCCOc1cccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1.
What is the InChIKey of 4-[3-(2-fluoroethoxy)phenyl]-N,N-diphenylaniline?
The InChIKey is WZHOKNOBXDLEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FNO/c27-18-19-29-26-13-7-8-22(20-26)21-14-16-25(17-15-21)28(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-17,20H,18-19H2.
What are the key properties of 4-[3-(2-fluoroethoxy)phenyl]-N,N-diphenylaniline?
4-[3-(2-fluoroethoxy)phenyl]-N,N-diphenylaniline has a molecular weight of 383.47 g/mol, XLogP of 7.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluoroethoxy)phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 89119599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).