N-[3,5-bis(2,3-difluorophenyl)phenyl]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline

C42H9F22N — CID 166974188

IUPACN-[3,5-bis(2,3-difluorophenyl)phenyl]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline
SMILESFc1cccc(-c2cc(-c3cccc(F)c3F)cc(N(c3c(F)c(F)c(-c4c(F)c(F)c(F)c(F)c4F)c(F)c3F)c3c(F)c(F)c(-c4c(F)c(F)c(F)c(F)c4F)c(F)c3F)c2)c1F
InChIInChI=1S/C42H9F22N/c43-15-5-1-3-13(21(15)45)10-7-11(14-4-2-6-16(44)22(14)46)9-12(8-10)65(41-37(61)27(51)19(28(52)38(41)62)17-23(47)31(55)35(59)32(56)24(17)48)42-39(63)29(53)20(30(54)40(42)64)18-25(49)33(57)36(60)34(58)26(18)50/h1-9H
InChIKeyVEVAUADPYBVJQY-UHFFFAOYSA-N
MW945.50 g/mol
LogP14.88
Rot. Bonds7

About N-[3,5-bis(2,3-difluorophenyl)phenyl]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline

N-[3,5-bis(2,3-difluorophenyl)phenyl]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline (PubChem CID 166974188) has the molecular formula C42H9F22N and a molecular weight of 945.50 g/mol. Its IUPAC name is N-[3,5-bis(2,3-difluorophenyl)phenyl]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[3,5-bis(2,3-difluorophenyl)phenyl]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline
PubChem CID166974188
Molecular FormulaC42H9F22N
Molecular Weight945.50 g/mol
Exact Mass945.04
IUPAC NameN-[3,5-bis(2,3-difluorophenyl)phenyl]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline
SMILESFc1cccc(-c2cc(-c3cccc(F)c3F)cc(N(c3c(F)c(F)c(-c4c(F)c(F)c(F)c(F)c4F)c(F)c3F)c3c(F)c(F)c(-c4c(F)c(F)c(F)c(F)c4F)c(F)c3F)c2)c1F
InChIInChI=1S/C42H9F22N/c43-15-5-1-3-13(21(15)45)10-7-11(14-4-2-6-16(44)22(14)46)9-12(8-10)65(41-37(61)27(51)19(28(52)38(41)62)17-23(47)31(55)35(59)32(56)24(17)48)42-39(63)29(53)20(30(54)40(42)64)18-25(49)33(57)36(60)34(58)26(18)50/h1-9H
InChIKeyVEVAUADPYBVJQY-UHFFFAOYSA-N
XLogP14.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.50
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[3,5-bis(2,3-difluorophenyl)phenyl]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline with MolForge

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Related Compounds

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CID 175418212
N,N-bis[3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
CID 166974287
1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene
CID 157170971
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CID 134631671
3-(2,3-difluorophenyl)aniline
CID 63987316
1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 118910762
[4-(2,3-difluorophenyl)phenyl]boronic acid
CID 141415338
1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene
CID 134627237
1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene
CID 134627065
1,2-difluoro-3-(2-fluorophenyl)benzene;methanol
CID 70977056
1-(2,3-difluorophenyl)-2,3,4,5,6-pentafluoronaphthalene
CID 91341325

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(2,3-difluorophenyl)phenyl]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline?
The IUPAC name of N-[3,5-bis(2,3-difluorophenyl)phenyl]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline (CID 166974188) is N-[3,5-bis(2,3-difluorophenyl)phenyl]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline.
What is the SMILES notation for N-[3,5-bis(2,3-difluorophenyl)phenyl]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline?
The canonical SMILES for N-[3,5-bis(2,3-difluorophenyl)phenyl]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline is Fc1cccc(-c2cc(-c3cccc(F)c3F)cc(N(c3c(F)c(F)c(-c4c(F)c(F)c(F)c(F)c4F)c(F)c3F)c3c(F)c(F)c(-c4c(F)c(F)c(F)c(F)c4F)c(F)c3F)c2)c1F.
What is the InChIKey of N-[3,5-bis(2,3-difluorophenyl)phenyl]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline?
The InChIKey is VEVAUADPYBVJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H9F22N/c43-15-5-1-3-13(21(15)45)10-7-11(14-4-2-6-16(44)22(14)46)9-12(8-10)65(41-37(61)27(51)19(28(52)38(41)62)17-23(47)31(55)35(59)32(56)24(17)48)42-39(63)29(53)20(30(54)40(42)64)18-25(49)33(57)36(60)34(58)26(18)50/h1-9H.
What are the key properties of N-[3,5-bis(2,3-difluorophenyl)phenyl]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline?
N-[3,5-bis(2,3-difluorophenyl)phenyl]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline has a molecular weight of 945.50 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(2,3-difluorophenyl)phenyl]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline is sourced from PubChem (CID 166974188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).