2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]methyl]phenoxy]phenyl]phenol

C49H30F8N2O2 — CID 138724800

IUPAC2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]methyl]phenoxy]phenyl]phenol
SMILESOc1c(F)c(F)c(-c2c(F)c(F)c(Oc3ccc(Cc4cccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)c4)cc3)c(F)c2F)c(F)c1F
InChIInChI=1S/C49H30F8N2O2/c50-40-38(41(51)45(55)48(60)44(40)54)39-42(52)46(56)49(47(57)43(39)53)61-37-25-19-29(20-26-37)27-30-11-10-18-36(28-30)59(33-16-8-3-9-17-33)35-23-21-34(22-24-35)58(31-12-4-1-5-13-31)32-14-6-2-7-15-32/h1-26,28,60H,27H2
InChIKeyXSBNFTVXYMDNNO-UHFFFAOYSA-N
MW830.77 g/mol
LogP14.49
Rot. Bonds11

About 2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]methyl]phenoxy]phenyl]phenol

2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]methyl]phenoxy]phenyl]phenol (PubChem CID 138724800) has the molecular formula C49H30F8N2O2 and a molecular weight of 830.77 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]methyl]phenoxy]phenyl]phenol.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]methyl]phenoxy]phenyl]phenol
PubChem CID138724800
Molecular FormulaC49H30F8N2O2
Molecular Weight830.77 g/mol
Exact Mass830.22
IUPAC Name2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]methyl]phenoxy]phenyl]phenol
SMILESOc1c(F)c(F)c(-c2c(F)c(F)c(Oc3ccc(Cc4cccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)c4)cc3)c(F)c2F)c(F)c1F
InChIInChI=1S/C49H30F8N2O2/c50-40-38(41(51)45(55)48(60)44(40)54)39-42(52)46(56)49(47(57)43(39)53)61-37-25-19-29(20-26-37)27-30-11-10-18-36(28-30)59(33-16-8-3-9-17-33)35-23-21-34(22-24-35)58(31-12-4-1-5-13-31)32-14-6-2-7-15-32/h1-26,28,60H,27H2
InChIKeyXSBNFTVXYMDNNO-UHFFFAOYSA-N
XLogP14.49
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.77
LogP ≤ 514.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]methyl]phenoxy]phenyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-diphenyl-1-N,4-N-bis[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]benzene-1,4-diamine
CID 138724935
[4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate
CID 89016777
4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 59922719
1-tert-butyl-2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]phenoxy]phenyl]benzene;ethane
CID 157393835
5,5-dimethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]benzo[b][1]benzosilol-3-amine
CID 168810421
N,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline
CID 14646517
4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid
CID 175081010
2-[3-(N-phenylanilino)phenyl]acetic acid
CID 170886645
N,N-diethyl-3-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxyaniline
CID 15808266
N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]dibenzothiophen-3-amine
CID 168810593
4-N,4-N-diphenyl-1-N-[4-[[4-[4-[[4-(N-phenylanilino)phenyl]methyl]anilino]phenyl]methyl]phenyl]benzene-1,4-diamine
CID 162039964
3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline
CID 163456030

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]methyl]phenoxy]phenyl]phenol?
The IUPAC name of 2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]methyl]phenoxy]phenyl]phenol (CID 138724800) is 2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]methyl]phenoxy]phenyl]phenol.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]methyl]phenoxy]phenyl]phenol?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]methyl]phenoxy]phenyl]phenol is Oc1c(F)c(F)c(-c2c(F)c(F)c(Oc3ccc(Cc4cccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)c4)cc3)c(F)c2F)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]methyl]phenoxy]phenyl]phenol?
The InChIKey is XSBNFTVXYMDNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30F8N2O2/c50-40-38(41(51)45(55)48(60)44(40)54)39-42(52)46(56)49(47(57)43(39)53)61-37-25-19-29(20-26-37)27-30-11-10-18-36(28-30)59(33-16-8-3-9-17-33)35-23-21-34(22-24-35)58(31-12-4-1-5-13-31)32-14-6-2-7-15-32/h1-26,28,60H,27H2.
What are the key properties of 2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]methyl]phenoxy]phenyl]phenol?
2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]methyl]phenoxy]phenyl]phenol has a molecular weight of 830.77 g/mol, XLogP of 14.49, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]methyl]phenoxy]phenyl]phenol is sourced from PubChem (CID 138724800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).