4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]aniline

C37H25F4N — CID 163845903

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]aniline
SMILESCc1c(F)c(F)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c(F)c1F
InChIInChI=1S/C37H25F4N/c1-24-34(38)36(40)33(37(41)35(24)39)29-16-22-32(23-17-29)42(30-18-12-27(13-19-30)25-8-4-2-5-9-25)31-20-14-28(15-21-31)26-10-6-3-7-11-26/h2-23H,1H3
InChIKeyOQCSMNCYEKAGPM-UHFFFAOYSA-N
MW559.61 g/mol
LogP11.02
Rot. Bonds6

About 4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]aniline (PubChem CID 163845903) has the molecular formula C37H25F4N and a molecular weight of 559.61 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]aniline
PubChem CID163845903
Molecular FormulaC37H25F4N
Molecular Weight559.61 g/mol
Exact Mass559.19
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]aniline
SMILESCc1c(F)c(F)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c(F)c1F
InChIInChI=1S/C37H25F4N/c1-24-34(38)36(40)33(37(41)35(24)39)29-16-22-32(23-17-29)42(30-18-12-27(13-19-30)25-8-4-2-5-9-25)31-20-14-28(15-21-31)26-10-6-3-7-11-26/h2-23H,1H3
InChIKeyOQCSMNCYEKAGPM-UHFFFAOYSA-N
XLogP11.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.61
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,3,4,5,6-pentafluorophenyl)-N,N-diphenylaniline
CID 102107695
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene
CID 102031632
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]aniline (CID 163845903) is 4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]aniline is Cc1c(F)c(F)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c(F)c1F.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]aniline?
The InChIKey is OQCSMNCYEKAGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25F4N/c1-24-34(38)36(40)33(37(41)35(24)39)29-16-22-32(23-17-29)42(30-18-12-27(13-19-30)25-8-4-2-5-9-25)31-20-14-28(15-21-31)26-10-6-3-7-11-26/h2-23H,1H3.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]aniline has a molecular weight of 559.61 g/mol, XLogP of 11.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]aniline is sourced from PubChem (CID 163845903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).