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

C38H30FNO2 — CID 139260995

IUPACN-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-[4-(4-methoxyphenyl)phenyl]aniline
SMILESCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(F)cc4)cc3)c3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H30FNO2/c1-41-37-23-11-31(12-24-37)29-7-19-35(20-8-29)40(34-17-5-28(6-18-34)27-3-15-33(39)16-4-27)36-21-9-30(10-22-36)32-13-25-38(42-2)26-14-32/h3-26H,1-2H3
InChIKeyVGLGMQSJLOWEBU-UHFFFAOYSA-N
MW551.66 g/mol
LogP10.31
Rot. Bonds8

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

N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-[4-(4-methoxyphenyl)phenyl]aniline (PubChem CID 139260995) has the molecular formula C38H30FNO2 and a molecular weight of 551.66 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-[4-(4-methoxyphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-[4-(4-methoxyphenyl)phenyl]aniline
PubChem CID139260995
Molecular FormulaC38H30FNO2
Molecular Weight551.66 g/mol
Exact Mass551.23
IUPAC NameN-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-[4-(4-methoxyphenyl)phenyl]aniline
SMILESCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(F)cc4)cc3)c3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H30FNO2/c1-41-37-23-11-31(12-24-37)29-7-19-35(20-8-29)40(34-17-5-28(6-18-34)27-3-15-33(39)16-4-27)36-21-9-30(10-22-36)32-13-25-38(42-2)26-14-32/h3-26H,1-2H3
InChIKeyVGLGMQSJLOWEBU-UHFFFAOYSA-N
XLogP10.31
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.66
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4'-[(4-Methoxyphenyl)methylene]bis(N,N-dimethylaniline)
CID 348623
11-[(3-Fluoro-4-methoxyphenyl)methyl]-5,6-dihydrobenzo[b][1]benzazepine
CID 134156514
4-({[3-(4-Methoxyphenyl)-3-phenylpropyl]amino}methyl)-N,N-dimethylaniline
CID 22331912
(1,1'-Biphenyl)-4,4'-diamine, N4,N4,N4',N4'-tetrakis(4-methoxyphenyl)-
CID 23069933
4-[[4-(dimethylamino)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]-N,N-dimethylaniline
CID 2825080
4-[[4-(difluoromethoxy)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 2825081
N-[(4-methoxyphenyl)-diphenylmethyl]aniline
CID 70688980
9-(4-methoxyphenyl)-10-methyl-9H-acridine
CID 11722402
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-N',N'-diphenylpropane-1,3-diamine
CID 69725243
N,N'-Bis(2-methyl-4-methoxyphenyl)-N,N'-diphenylbenzidine
CID 23517938
N,N-dimethyl-4-[2-(4-phenylphenoxy)ethyl]aniline
CID 501370
9-Chloro-9-(4-methoxyphenyl)-10-phenyl-9,10-dihydroacridine
CID 228542

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-[4-(4-methoxyphenyl)phenyl]aniline?
The IUPAC name of N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-[4-(4-methoxyphenyl)phenyl]aniline (CID 139260995) is N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-[4-(4-methoxyphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-[4-(4-methoxyphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-[4-(4-methoxyphenyl)phenyl]aniline is COc1ccc(-c2ccc(N(c3ccc(-c4ccc(F)cc4)cc3)c3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-[4-(4-methoxyphenyl)phenyl]aniline?
The InChIKey is VGLGMQSJLOWEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30FNO2/c1-41-37-23-11-31(12-24-37)29-7-19-35(20-8-29)40(34-17-5-28(6-18-34)27-3-15-33(39)16-4-27)36-21-9-30(10-22-36)32-13-25-38(42-2)26-14-32/h3-26H,1-2H3.
What are the key properties of N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-[4-(4-methoxyphenyl)phenyl]aniline?
N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-[4-(4-methoxyphenyl)phenyl]aniline has a molecular weight of 551.66 g/mol, XLogP of 10.31, 8 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-(4-methoxyphenyl)phenyl]aniline is sourced from PubChem (CID 139260995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).