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

C36H27FN2O — CID 102430685

IUPACN-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-4-ylphenyl)aniline
SMILESCOc1ccc(-c2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccc(F)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H27FN2O/c1-40-36-20-10-30(11-21-36)28-6-16-34(17-7-28)39(35-18-8-29(9-19-35)31-22-24-38-25-23-31)33-14-4-27(5-15-33)26-2-12-32(37)13-3-26/h2-25H,1H3
InChIKeyGLNKHMHWRCOHDP-UHFFFAOYSA-N
MW522.62 g/mol
LogP9.70
Rot. Bonds7

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

N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-4-ylphenyl)aniline (PubChem CID 102430685) 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-4-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-4-ylphenyl)aniline
PubChem CID102430685
Molecular FormulaC36H27FN2O
Molecular Weight522.62 g/mol
Exact Mass522.21
IUPAC NameN-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-4-ylphenyl)aniline
SMILESCOc1ccc(-c2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccc(F)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H27FN2O/c1-40-36-20-10-30(11-21-36)28-6-16-34(17-7-28)39(35-18-8-29(9-19-35)31-22-24-38-25-23-31)33-14-4-27(5-15-33)26-2-12-32(37)13-3-26/h2-25H,1H3
InChIKeyGLNKHMHWRCOHDP-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

4-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539798
(4-Pyridylmethylene)tetrahydronaphthalene 14b
CID 6539799
2,6-Difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenol
CID 73010393
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-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540055
4-[6-(4-methoxyphenyl)-1H-inden-3-yl]pyridine
CID 25033656
4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine
CID 46901928
4-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-N-(2-phenylpropan-2-yl)aniline
CID 44562336
1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine
CID 162662563
1-[3-(4-Benzylphenoxy)propyl]-4-pyridin-4-ylpiperazine
CID 162666847

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-4-ylphenyl)aniline?
The IUPAC name of N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-4-ylphenyl)aniline (CID 102430685) is N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-4-ylphenyl)aniline.
What is the SMILES notation for N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-4-ylphenyl)aniline?
The canonical SMILES for N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-4-ylphenyl)aniline is COc1ccc(-c2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccc(F)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-4-ylphenyl)aniline?
The InChIKey is GLNKHMHWRCOHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27FN2O/c1-40-36-20-10-30(11-21-36)28-6-16-34(17-7-28)39(35-18-8-29(9-19-35)31-22-24-38-25-23-31)33-14-4-27(5-15-33)26-2-12-32(37)13-3-26/h2-25H,1H3.
What are the key properties of N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-4-ylphenyl)aniline?
N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-4-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-4-ylphenyl)aniline is sourced from PubChem (CID 102430685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).