2-[2-(N-(5,7-diphenylnaphthalen-1-yl)anilino)phenyl]-4-fluorobenzonitrile

C41H27FN2 — CID 171749929

IUPAC2-[2-(N-(5,7-diphenylnaphthalen-1-yl)anilino)phenyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1-c1ccccc1N(c1ccccc1)c1cccc2c(-c3ccccc3)cc(-c3ccccc3)cc12
InChIInChI=1S/C41H27FN2/c42-33-24-23-31(28-43)38(27-33)36-19-10-11-21-40(36)44(34-17-8-3-9-18-34)41-22-12-20-35-37(30-15-6-2-7-16-30)25-32(26-39(35)41)29-13-4-1-5-14-29/h1-27H
InChIKeyVFOLENKONBMJSW-UHFFFAOYSA-N
MW566.68 g/mol
LogP11.32
Rot. Bonds6

About 2-[2-(N-(5,7-diphenylnaphthalen-1-yl)anilino)phenyl]-4-fluorobenzonitrile

2-[2-(N-(5,7-diphenylnaphthalen-1-yl)anilino)phenyl]-4-fluorobenzonitrile (PubChem CID 171749929) has the molecular formula C41H27FN2 and a molecular weight of 566.68 g/mol. Its IUPAC name is 2-[2-(N-(5,7-diphenylnaphthalen-1-yl)anilino)phenyl]-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-[2-(N-(5,7-diphenylnaphthalen-1-yl)anilino)phenyl]-4-fluorobenzonitrile
PubChem CID171749929
Molecular FormulaC41H27FN2
Molecular Weight566.68 g/mol
Exact Mass566.22
IUPAC Name2-[2-(N-(5,7-diphenylnaphthalen-1-yl)anilino)phenyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1-c1ccccc1N(c1ccccc1)c1cccc2c(-c3ccccc3)cc(-c3ccccc3)cc12
InChIInChI=1S/C41H27FN2/c42-33-24-23-31(28-43)38(27-33)36-19-10-11-21-40(36)44(34-17-8-3-9-18-34)41-22-12-20-35-37(30-15-6-2-7-16-30)25-32(26-39(35)41)29-13-4-1-5-14-29/h1-27H
InChIKeyVFOLENKONBMJSW-UHFFFAOYSA-N
XLogP11.32
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.68
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 87182000
N-phenyl-2-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172502156
9,20-bis[4-(N-phenylanilino)phenyl]hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene-14,15-dicarbonitrile
CID 59805341
2-[3-(N-[6-(N-[3,5-bis(2-cyanophenyl)-2-fluorophenyl]anilino)pyren-1-yl]anilino)-5-(2-cyanophenyl)-4-fluorophenyl]benzonitrile
CID 59357904
2-[4-(N-phenylanilino)phenyl]benzonitrile
CID 53473408
N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline
CID 121322799
2-(N-(3-phenylnaphthalen-2-yl)anilino)benzonitrile
CID 155133342
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501728
2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile
CID 118410708
2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile
CID 100933714
N-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline
CID 148771233
N-phenyl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144324

Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-(5,7-diphenylnaphthalen-1-yl)anilino)phenyl]-4-fluorobenzonitrile?
The IUPAC name of 2-[2-(N-(5,7-diphenylnaphthalen-1-yl)anilino)phenyl]-4-fluorobenzonitrile (CID 171749929) is 2-[2-(N-(5,7-diphenylnaphthalen-1-yl)anilino)phenyl]-4-fluorobenzonitrile.
What is the SMILES notation for 2-[2-(N-(5,7-diphenylnaphthalen-1-yl)anilino)phenyl]-4-fluorobenzonitrile?
The canonical SMILES for 2-[2-(N-(5,7-diphenylnaphthalen-1-yl)anilino)phenyl]-4-fluorobenzonitrile is N#Cc1ccc(F)cc1-c1ccccc1N(c1ccccc1)c1cccc2c(-c3ccccc3)cc(-c3ccccc3)cc12.
What is the InChIKey of 2-[2-(N-(5,7-diphenylnaphthalen-1-yl)anilino)phenyl]-4-fluorobenzonitrile?
The InChIKey is VFOLENKONBMJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27FN2/c42-33-24-23-31(28-43)38(27-33)36-19-10-11-21-40(36)44(34-17-8-3-9-18-34)41-22-12-20-35-37(30-15-6-2-7-16-30)25-32(26-39(35)41)29-13-4-1-5-14-29/h1-27H.
What are the key properties of 2-[2-(N-(5,7-diphenylnaphthalen-1-yl)anilino)phenyl]-4-fluorobenzonitrile?
2-[2-(N-(5,7-diphenylnaphthalen-1-yl)anilino)phenyl]-4-fluorobenzonitrile has a molecular weight of 566.68 g/mol, XLogP of 11.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N-(5,7-diphenylnaphthalen-1-yl)anilino)phenyl]-4-fluorobenzonitrile is sourced from PubChem (CID 171749929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).