N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)aniline

C36H27FN2O — CID 102430687

IUPACN-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)aniline
SMILESCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(F)cc4)cc3)c3ccc(-c4cccnc4)cc3)cc2)cc1
InChIInChI=1S/C36H27FN2O/c1-40-36-22-12-29(13-23-36)28-8-18-34(19-9-28)39(35-20-10-30(11-21-35)31-3-2-24-38-25-31)33-16-6-27(7-17-33)26-4-14-32(37)15-5-26/h2-25H,1H3
InChIKeyFGGXMWJIJMFYCC-UHFFFAOYSA-N
MW522.62 g/mol
LogP9.70
Rot. Bonds7

About N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)aniline

N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)aniline (PubChem CID 102430687) has the molecular formula C36H27FN2O and a molecular weight of 522.62 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)aniline
PubChem CID102430687
Molecular FormulaC36H27FN2O
Molecular Weight522.62 g/mol
Exact Mass522.21
IUPAC NameN-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)aniline
SMILESCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(F)cc4)cc3)c3ccc(-c4cccnc4)cc3)cc2)cc1
InChIInChI=1S/C36H27FN2O/c1-40-36-22-12-29(13-23-36)28-8-18-34(19-9-28)39(35-20-10-30(11-21-35)31-3-2-24-38-25-31)33-16-6-27(7-17-33)26-4-14-32(37)15-5-26/h2-25H,1H3
InChIKeyFGGXMWJIJMFYCC-UHFFFAOYSA-N
XLogP9.70
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.62
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540049
3-(7-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540057
4-(4-Methoxyphenyl)-2-methylpyridine
CID 23371780
3-(3-Benzyl-6-methoxynaphthalen-2-yl)pyridine
CID 25129117
3-[3-(4-Methoxybenzyl)naphthalen-2-yl]pyridine
CID 25130848
4-[6-(4-methoxyphenyl)-1H-inden-3-yl]pyridine
CID 25033656
4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine
CID 46901928
1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine
CID 162662563
2-(4-Methoxyphenyl)-5-pentylpyridine
CID 2058335
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)aniline?
The IUPAC name of N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)aniline (CID 102430687) is N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)aniline.
What is the SMILES notation for N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)aniline?
The canonical SMILES for N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)aniline is COc1ccc(-c2ccc(N(c3ccc(-c4ccc(F)cc4)cc3)c3ccc(-c4cccnc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)aniline?
The InChIKey is FGGXMWJIJMFYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27FN2O/c1-40-36-22-12-29(13-23-36)28-8-18-34(19-9-28)39(35-20-10-30(11-21-35)31-3-2-24-38-25-31)33-16-6-27(7-17-33)26-4-14-32(37)15-5-26/h2-25H,1H3.
What are the key properties of N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)aniline?
N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)aniline has a molecular weight of 522.62 g/mol, XLogP of 9.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)aniline is sourced from PubChem (CID 102430687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).