N-[2-[2-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine

C44H22F10N2 — CID 166974148

IUPACN-[2-[2-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine
SMILESFc1c(F)c(F)c(N(c2ccccc2-c2ccccc2N(c2c(F)c(F)c(F)c(F)c2F)c2cccc3ccccc23)c2cccc3ccccc23)c(F)c1F
InChIInChI=1S/C44H22F10N2/c45-33-35(47)39(51)43(40(52)36(33)48)55(29-21-9-13-23-11-1-3-15-25(23)29)31-19-7-5-17-27(31)28-18-6-8-20-32(28)56(30-22-10-14-24-12-2-4-16-26(24)30)44-41(53)37(49)34(46)38(50)42(44)54/h1-22H
InChIKeyIMAURWMYTFZUTQ-UHFFFAOYSA-N
MW768.65 g/mol
LogP13.99
Rot. Bonds7

About N-[2-[2-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine

N-[2-[2-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine (PubChem CID 166974148) has the molecular formula C44H22F10N2 and a molecular weight of 768.65 g/mol. Its IUPAC name is N-[2-[2-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[2-[2-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine
PubChem CID166974148
Molecular FormulaC44H22F10N2
Molecular Weight768.65 g/mol
Exact Mass768.16
IUPAC NameN-[2-[2-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine
SMILESFc1c(F)c(F)c(N(c2ccccc2-c2ccccc2N(c2c(F)c(F)c(F)c(F)c2F)c2cccc3ccccc23)c2cccc3ccccc23)c(F)c1F
InChIInChI=1S/C44H22F10N2/c45-33-35(47)39(51)43(40(52)36(33)48)55(29-21-9-13-23-11-1-3-15-25(23)29)31-19-7-5-17-27(31)28-18-6-8-20-32(28)56(30-22-10-14-24-12-2-4-16-26(24)30)44-41(53)37(49)34(46)38(50)42(44)54/h1-22H
InChIKeyIMAURWMYTFZUTQ-UHFFFAOYSA-N
XLogP13.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.65
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 156570934
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9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665521
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501728
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
1,1,2,2-tetranaphthalen-1-ylhydrazine
CID 21439529
9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]fluoren-2-amine
CID 59221652
N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 167087101
N,N-bis(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502561
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 59221527

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine?
The IUPAC name of N-[2-[2-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine (CID 166974148) is N-[2-[2-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine.
What is the SMILES notation for N-[2-[2-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine?
The canonical SMILES for N-[2-[2-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine is Fc1c(F)c(F)c(N(c2ccccc2-c2ccccc2N(c2c(F)c(F)c(F)c(F)c2F)c2cccc3ccccc23)c2cccc3ccccc23)c(F)c1F.
What is the InChIKey of N-[2-[2-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine?
The InChIKey is IMAURWMYTFZUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H22F10N2/c45-33-35(47)39(51)43(40(52)36(33)48)55(29-21-9-13-23-11-1-3-15-25(23)29)31-19-7-5-17-27(31)28-18-6-8-20-32(28)56(30-22-10-14-24-12-2-4-16-26(24)30)44-41(53)37(49)34(46)38(50)42(44)54/h1-22H.
What are the key properties of N-[2-[2-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine?
N-[2-[2-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine has a molecular weight of 768.65 g/mol, XLogP of 13.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine is sourced from PubChem (CID 166974148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).