1,2-bis(4-fluorophenyl)-N,N'-diphenylethane-1,2-diamine

C26H22F2N2 — CID 11327045

IUPAC1,2-bis(4-fluorophenyl)-N,N'-diphenylethane-1,2-diamine
SMILESFc1ccc(C(Nc2ccccc2)C(Nc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H22F2N2/c27-21-15-11-19(12-16-21)25(29-23-7-3-1-4-8-23)26(20-13-17-22(28)18-14-20)30-24-9-5-2-6-10-24/h1-18,25-26,29-30H
InChIKeyYBYNTVBUSHFOEO-UHFFFAOYSA-N
MW400.47 g/mol
LogP6.97
Rot. Bonds7

About 1,2-bis(4-fluorophenyl)-N,N'-diphenylethane-1,2-diamine

1,2-bis(4-fluorophenyl)-N,N'-diphenylethane-1,2-diamine (PubChem CID 11327045) has the molecular formula C26H22F2N2 and a molecular weight of 400.47 g/mol. Its IUPAC name is 1,2-bis(4-fluorophenyl)-N,N'-diphenylethane-1,2-diamine.

Molecular Properties

Compound Name1,2-bis(4-fluorophenyl)-N,N'-diphenylethane-1,2-diamine
PubChem CID11327045
Molecular FormulaC26H22F2N2
Molecular Weight400.47 g/mol
Exact Mass400.18
IUPAC Name1,2-bis(4-fluorophenyl)-N,N'-diphenylethane-1,2-diamine
SMILESFc1ccc(C(Nc2ccccc2)C(Nc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H22F2N2/c27-21-15-11-19(12-16-21)25(29-23-7-3-1-4-8-23)26(20-13-17-22(28)18-14-20)30-24-9-5-2-6-10-24/h1-18,25-26,29-30H
InChIKeyYBYNTVBUSHFOEO-UHFFFAOYSA-N
XLogP6.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.47
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
2-[[1,2-bis(4-fluorophenyl)-2-(2-sulfanylanilino)ethyl]amino]benzenethiol
CID 20762520
N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]aniline
CID 45358247
(1S,2S)-2-anilino-1,2-diphenylethanol
CID 1236280
N,N'-bis(4-methylsulfanylphenyl)-1,2-diphenylethane-1,2-diamine
CID 15533676
(1S,2S)-1-anilino-1-phenylpropan-2-ol
CID 166445226
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline
CID 10837600
[(4-fluorophenyl)-phenylmethyl]chloranium
CID 142220193
(4-fluorophenyl)-phenylmethanamine
CID 11183272
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
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1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 43481338

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-fluorophenyl)-N,N'-diphenylethane-1,2-diamine?
The IUPAC name of 1,2-bis(4-fluorophenyl)-N,N'-diphenylethane-1,2-diamine (CID 11327045) is 1,2-bis(4-fluorophenyl)-N,N'-diphenylethane-1,2-diamine.
What is the SMILES notation for 1,2-bis(4-fluorophenyl)-N,N'-diphenylethane-1,2-diamine?
The canonical SMILES for 1,2-bis(4-fluorophenyl)-N,N'-diphenylethane-1,2-diamine is Fc1ccc(C(Nc2ccccc2)C(Nc2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1,2-bis(4-fluorophenyl)-N,N'-diphenylethane-1,2-diamine?
The InChIKey is YBYNTVBUSHFOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N2/c27-21-15-11-19(12-16-21)25(29-23-7-3-1-4-8-23)26(20-13-17-22(28)18-14-20)30-24-9-5-2-6-10-24/h1-18,25-26,29-30H.
What are the key properties of 1,2-bis(4-fluorophenyl)-N,N'-diphenylethane-1,2-diamine?
1,2-bis(4-fluorophenyl)-N,N'-diphenylethane-1,2-diamine has a molecular weight of 400.47 g/mol, XLogP of 6.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-fluorophenyl)-N,N'-diphenylethane-1,2-diamine is sourced from PubChem (CID 11327045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).