4-(4-fluorophenyl)-N,N-bis(4-pyridin-4-ylphenyl)aniline

C34H24FN3 — CID 102430684

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

About 4-(4-fluorophenyl)-N,N-bis(4-pyridin-4-ylphenyl)aniline

4-(4-fluorophenyl)-N,N-bis(4-pyridin-4-ylphenyl)aniline (PubChem CID 102430684) has the molecular formula C34H24FN3 and a molecular weight of 493.59 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N,N-bis(4-pyridin-4-ylphenyl)aniline.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N,N-bis(4-pyridin-4-ylphenyl)aniline
PubChem CID102430684
Molecular FormulaC34H24FN3
Molecular Weight493.59 g/mol
Exact Mass493.20
IUPAC Name4-(4-fluorophenyl)-N,N-bis(4-pyridin-4-ylphenyl)aniline
SMILESFc1ccc(-c2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccncc4)cc3)cc2)cc1
InChIInChI=1S/C34H24FN3/c35-31-9-1-25(2-10-31)26-3-11-32(12-4-26)38(33-13-5-27(6-14-33)29-17-21-36-22-18-29)34-15-7-28(8-16-34)30-19-23-37-24-20-30/h1-24H
InChIKeyVREWCKWZTVSHJQ-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
(3-Triphenylmethylaminomethyl)pyridine
CID 24868317
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
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-phenyl-piperidin-1-yl)-butyl]-1H-indole
CID 10342427
4-(1,2-Diphenylethyl)pyridine
CID 242919
N,N-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]aniline
CID 688200

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N,N-bis(4-pyridin-4-ylphenyl)aniline?
The IUPAC name of 4-(4-fluorophenyl)-N,N-bis(4-pyridin-4-ylphenyl)aniline (CID 102430684) is 4-(4-fluorophenyl)-N,N-bis(4-pyridin-4-ylphenyl)aniline.
What is the SMILES notation for 4-(4-fluorophenyl)-N,N-bis(4-pyridin-4-ylphenyl)aniline?
The canonical SMILES for 4-(4-fluorophenyl)-N,N-bis(4-pyridin-4-ylphenyl)aniline is Fc1ccc(-c2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccncc4)cc3)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N,N-bis(4-pyridin-4-ylphenyl)aniline?
The InChIKey is VREWCKWZTVSHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24FN3/c35-31-9-1-25(2-10-31)26-3-11-32(12-4-26)38(33-13-5-27(6-14-33)29-17-21-36-22-18-29)34-15-7-28(8-16-34)30-19-23-37-24-20-30/h1-24H.
What are the key properties of 4-(4-fluorophenyl)-N,N-bis(4-pyridin-4-ylphenyl)aniline?
4-(4-fluorophenyl)-N,N-bis(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,N-bis(4-pyridin-4-ylphenyl)aniline is sourced from PubChem (CID 102430684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).