4-(4-fluorophenyl)-N-(4-pyridin-3-ylphenyl)-N-(4-pyridin-4-ylphenyl)aniline

C34H24FN3 — CID 139260999

IUPAC4-(4-fluorophenyl)-N-(4-pyridin-3-ylphenyl)-N-(4-pyridin-4-ylphenyl)aniline
SMILESFc1ccc(-c2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4cccnc4)cc3)cc2)cc1
InChIInChI=1S/C34H24FN3/c35-31-11-3-25(4-12-31)26-5-13-32(14-6-26)38(33-15-7-27(8-16-33)29-19-22-36-23-20-29)34-17-9-28(10-18-34)30-2-1-21-37-24-30/h1-24H
InChIKeyBYGWRWIAGXLADS-UHFFFAOYSA-N
MW493.59 g/mol
LogP9.09
Rot. Bonds6

About 4-(4-fluorophenyl)-N-(4-pyridin-3-ylphenyl)-N-(4-pyridin-4-ylphenyl)aniline

4-(4-fluorophenyl)-N-(4-pyridin-3-ylphenyl)-N-(4-pyridin-4-ylphenyl)aniline (PubChem CID 139260999) has the molecular formula C34H24FN3 and a molecular weight of 493.59 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(4-pyridin-3-ylphenyl)-N-(4-pyridin-4-ylphenyl)aniline.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(4-pyridin-3-ylphenyl)-N-(4-pyridin-4-ylphenyl)aniline
PubChem CID139260999
Molecular FormulaC34H24FN3
Molecular Weight493.59 g/mol
Exact Mass493.20
IUPAC Name4-(4-fluorophenyl)-N-(4-pyridin-3-ylphenyl)-N-(4-pyridin-4-ylphenyl)aniline
SMILESFc1ccc(-c2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4cccnc4)cc3)cc2)cc1
InChIInChI=1S/C34H24FN3/c35-31-11-3-25(4-12-31)26-5-13-32(14-6-26)38(33-15-7-27(8-16-33)29-19-22-36-23-20-29)34-17-9-28(10-18-34)30-2-1-21-37-24-30/h1-24H
InChIKeyBYGWRWIAGXLADS-UHFFFAOYSA-N
XLogP9.09
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.59
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Dimethylaminostyryl)quinoline
CID 668053
Benzylviologen
CID 14196
N,N-dimethyl-4-(pyridin-4-yl)aniline
CID 227783
Quinolinium, 4-(p-dimethylaminostyryl)-1-methyl-
CID 1405133
6,6'-Biquinoline
CID 620711
(3-Triphenylmethylaminomethyl)pyridine
CID 24868317
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
Benzenamine, 4-(2,6-diphenyl-4-pyridinyl)-N,N-dimethyl-
CID 93126
4-(4''-Fluoro-biphenyl-4-ylmethyl)pyridine
CID 49864196
1-(4-Fluoro-phenyl)-3-{4-[4-(4-fluoro-phenyl)-piperidin-1-yl]-butyl}-1H-indole
CID 10049124
1-(4-Fluoro-phenyl)-3-[4-(4-phenyl-piperidin-1-yl)-butyl]-1H-indole
CID 10342427
5-[4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl]-3-(2-fluorophenyl)-pyridazine
CID 10384086

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(4-pyridin-3-ylphenyl)-N-(4-pyridin-4-ylphenyl)aniline?
The IUPAC name of 4-(4-fluorophenyl)-N-(4-pyridin-3-ylphenyl)-N-(4-pyridin-4-ylphenyl)aniline (CID 139260999) is 4-(4-fluorophenyl)-N-(4-pyridin-3-ylphenyl)-N-(4-pyridin-4-ylphenyl)aniline.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(4-pyridin-3-ylphenyl)-N-(4-pyridin-4-ylphenyl)aniline?
The canonical SMILES for 4-(4-fluorophenyl)-N-(4-pyridin-3-ylphenyl)-N-(4-pyridin-4-ylphenyl)aniline is Fc1ccc(-c2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4cccnc4)cc3)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(4-pyridin-3-ylphenyl)-N-(4-pyridin-4-ylphenyl)aniline?
The InChIKey is BYGWRWIAGXLADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24FN3/c35-31-11-3-25(4-12-31)26-5-13-32(14-6-26)38(33-15-7-27(8-16-33)29-19-22-36-23-20-29)34-17-9-28(10-18-34)30-2-1-21-37-24-30/h1-24H.
What are the key properties of 4-(4-fluorophenyl)-N-(4-pyridin-3-ylphenyl)-N-(4-pyridin-4-ylphenyl)aniline?
4-(4-fluorophenyl)-N-(4-pyridin-3-ylphenyl)-N-(4-pyridin-4-ylphenyl)aniline has a molecular weight of 493.59 g/mol, XLogP of 9.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(4-pyridin-3-ylphenyl)-N-(4-pyridin-4-ylphenyl)aniline is sourced from PubChem (CID 139260999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).