4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]-N-(4-pyridin-4-ylphenyl)aniline

C35H24F2N2 — CID 102430683

IUPAC4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]-N-(4-pyridin-4-ylphenyl)aniline
SMILESFc1ccc(-c2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccc(F)cc4)cc3)cc2)cc1
InChIInChI=1S/C35H24F2N2/c36-31-11-1-25(2-12-31)27-5-15-33(16-6-27)39(35-19-9-29(10-20-35)30-21-23-38-24-22-30)34-17-7-28(8-18-34)26-3-13-32(37)14-4-26/h1-24H
InChIKeyBQCLAXWTSLQUQP-UHFFFAOYSA-N
MW510.59 g/mol
LogP9.83
Rot. Bonds6

About 4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]-N-(4-pyridin-4-ylphenyl)aniline

4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]-N-(4-pyridin-4-ylphenyl)aniline (PubChem CID 102430683) has the molecular formula C35H24F2N2 and a molecular weight of 510.59 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]-N-(4-pyridin-4-ylphenyl)aniline.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]-N-(4-pyridin-4-ylphenyl)aniline
PubChem CID102430683
Molecular FormulaC35H24F2N2
Molecular Weight510.59 g/mol
Exact Mass510.19
IUPAC Name4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]-N-(4-pyridin-4-ylphenyl)aniline
SMILESFc1ccc(-c2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccc(F)cc4)cc3)cc2)cc1
InChIInChI=1S/C35H24F2N2/c36-31-11-1-25(2-12-31)27-5-15-33(16-6-27)39(35-19-9-29(10-20-35)30-21-23-38-24-22-30)34-17-7-28(8-18-34)26-3-13-32(37)14-4-26/h1-24H
InChIKeyBQCLAXWTSLQUQP-UHFFFAOYSA-N
XLogP9.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-(Dimethylamino)styryl)-1-methylpyridinium iodide
CID 5333955
Benzylviologen
CID 14196
N,N-dimethyl-4-(pyridin-4-yl)aniline
CID 227783
(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-Dimethylaminostyryl)-1-methylpyridinium
CID 730769
N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine
CID 8865270
4-((3'',4''-Difluorobiphenyl-4-yl)methyl)pyridine
CID 46901616
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
3-(4-Aminobenzylidene)anabaseine
CID 11587012

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]-N-(4-pyridin-4-ylphenyl)aniline?
The IUPAC name of 4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]-N-(4-pyridin-4-ylphenyl)aniline (CID 102430683) is 4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]-N-(4-pyridin-4-ylphenyl)aniline.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]-N-(4-pyridin-4-ylphenyl)aniline?
The canonical SMILES for 4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]-N-(4-pyridin-4-ylphenyl)aniline is Fc1ccc(-c2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccc(F)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]-N-(4-pyridin-4-ylphenyl)aniline?
The InChIKey is BQCLAXWTSLQUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24F2N2/c36-31-11-1-25(2-12-31)27-5-15-33(16-6-27)39(35-19-9-29(10-20-35)30-21-23-38-24-22-30)34-17-7-28(8-18-34)26-3-13-32(37)14-4-26/h1-24H.
What are the key properties of 4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]-N-(4-pyridin-4-ylphenyl)aniline?
4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]-N-(4-pyridin-4-ylphenyl)aniline has a molecular weight of 510.59 g/mol, XLogP of 9.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]-N-(4-pyridin-4-ylphenyl)aniline is sourced from PubChem (CID 102430683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).