N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-naphthalen-1-ylanilino)phenyl]propan-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-1-ylanilino)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine;4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline

C182H108F31N13O3 — CID 160891225

IUPACN-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-naphthalen-1-ylanilino)phenyl]propan-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-1-ylanilino)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine;4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline
SMILESFC(F)(F)C(c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1)(c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1)C(F)(F)F.FC(F)(F)c1cc(N(c2ccccc2)c2cccc3ccccc23)ccc1-c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1C(F)(F)F.FC(F)(F)c1ccc(-c2nnc(-c3ccc(N(c4ccc(-c5nnc(-c6ccc(C(F)(F)F)cc6)o5)cc4)c4ccc(-c5nnc(-c6ccc(C(F)(F)F)cc6)o5)cc4)cc3)o2)cc1.Fc1c(F)c(F)c(N(c2ccc(-c3ccc(N(c4c(F)c(F)c(F)c(F)c4F)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)c(F)c1F
InChIInChI=1S/C47H32F6N2.C46H30F6N2.C45H24F9N7O3.C44H22F10N2/c48-46(49,50)45(47(51,52)53,35-25-29-39(30-26-35)54(37-17-3-1-4-18-37)43-23-11-15-33-13-7-9-21-41(33)43)36-27-31-40(32-28-36)55(38-19-5-2-6-20-38)44-24-12-16-34-14-8-10-22-42(34)44;47-45(48,49)41-29-35(53(33-17-3-1-4-18-33)43-23-11-15-31-13-7-9-21-37(31)43)25-27-39(41)40-28-26-36(30-42(40)46(50,51)52)54(34-19-5-2-6-20-34)44-24-12-16-32-14-8-10-22-38(32)44;46-43(47,48)31-13-1-25(2-14-31)37-55-58-40(62-37)28-7-19-34(20-8-28)61(35-21-9-29(10-22-35)41-59-56-38(63-41)26-3-15-32(16-4-26)44(49,50)51)36-23-11-30(12-24-36)42-60-57-39(64-42)27-5-17-33(18-6-27)45(52,53)54;45-33-35(47)39(51)43(40(52)36(33)48)55(31-13-5-9-25-7-1-3-11-29(25)31)27-19-15-23(16-20-27)24-17-21-28(22-18-24)56(32-14-6-10-26-8-2-4-12-30(26)32)44-41(53)37(49)34(46)38(50)42(44)54/h1-32H;1-30H;1-24H;1-22H
InChIKeySOHHXSCYJNHZNR-UHFFFAOYSA-N
MW3113.89 g/mol
LogP56.33
Rot. Bonds31

About N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-naphthalen-1-ylanilino)phenyl]propan-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-1-ylanilino)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine;4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline

N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-naphthalen-1-ylanilino)phenyl]propan-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-1-ylanilino)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine;4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline (PubChem CID 160891225) has the molecular formula C182H108F31N13O3 and a molecular weight of 3113.89 g/mol. Its IUPAC name is N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-naphthalen-1-ylanilino)phenyl]propan-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-1-ylanilino)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine;4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline.

Molecular Properties

Compound NameN-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-naphthalen-1-ylanilino)phenyl]propan-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-1-ylanilino)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine;4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline
PubChem CID160891225
Molecular FormulaC182H108F31N13O3
Molecular Weight3113.89 g/mol
Exact Mass3111.82
IUPAC NameN-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-naphthalen-1-ylanilino)phenyl]propan-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-1-ylanilino)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine;4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline
SMILESFC(F)(F)C(c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1)(c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1)C(F)(F)F.FC(F)(F)c1cc(N(c2ccccc2)c2cccc3ccccc23)ccc1-c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1C(F)(F)F.FC(F)(F)c1ccc(-c2nnc(-c3ccc(N(c4ccc(-c5nnc(-c6ccc(C(F)(F)F)cc6)o5)cc4)c4ccc(-c5nnc(-c6ccc(C(F)(F)F)cc6)o5)cc4)cc3)o2)cc1.Fc1c(F)c(F)c(N(c2ccc(-c3ccc(N(c4c(F)c(F)c(F)c(F)c4F)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)c(F)c1F
InChIInChI=1S/C47H32F6N2.C46H30F6N2.C45H24F9N7O3.C44H22F10N2/c48-46(49,50)45(47(51,52)53,35-25-29-39(30-26-35)54(37-17-3-1-4-18-37)43-23-11-15-33-13-7-9-21-41(33)43)36-27-31-40(32-28-36)55(38-19-5-2-6-20-38)44-24-12-16-34-14-8-10-22-42(34)44;47-45(48,49)41-29-35(53(33-17-3-1-4-18-33)43-23-11-15-31-13-7-9-21-37(31)43)25-27-39(41)40-28-26-36(30-42(40)46(50,51)52)54(34-19-5-2-6-20-34)44-24-12-16-32-14-8-10-22-38(32)44;46-43(47,48)31-13-1-25(2-14-31)37-55-58-40(62-37)28-7-19-34(20-8-28)61(35-21-9-29(10-22-35)41-59-56-38(63-41)26-3-15-32(16-4-26)44(49,50)51)36-23-11-30(12-24-36)42-60-57-39(64-42)27-5-17-33(18-6-27)45(52,53)54;45-33-35(47)39(51)43(40(52)36(33)48)55(31-13-5-9-25-7-1-3-11-29(25)31)27-19-15-23(16-20-27)24-17-21-28(22-18-24)56(32-14-6-10-26-8-2-4-12-30(26)32)44-41(53)37(49)34(46)38(50)42(44)54/h1-32H;1-30H;1-24H;1-22H
InChIKeySOHHXSCYJNHZNR-UHFFFAOYSA-N
XLogP56.33
TPSA139.44 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds31
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003113.89
LogP ≤ 556.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-naphthalen-1-ylanilino)phenyl]propan-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-1-ylanilino)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine;4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-naphthalen-1-ylanilino)phenyl]propan-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-1-ylanilino)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine;4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline?
The IUPAC name of N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-naphthalen-1-ylanilino)phenyl]propan-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-1-ylanilino)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine;4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline (CID 160891225) is N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-naphthalen-1-ylanilino)phenyl]propan-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-1-ylanilino)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine;4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline.
What is the SMILES notation for N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-naphthalen-1-ylanilino)phenyl]propan-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-1-ylanilino)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine;4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline?
The canonical SMILES for N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-naphthalen-1-ylanilino)phenyl]propan-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-1-ylanilino)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine;4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline is FC(F)(F)C(c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1)(c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1)C(F)(F)F.FC(F)(F)c1cc(N(c2ccccc2)c2cccc3ccccc23)ccc1-c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1C(F)(F)F.FC(F)(F)c1ccc(-c2nnc(-c3ccc(N(c4ccc(-c5nnc(-c6ccc(C(F)(F)F)cc6)o5)cc4)c4ccc(-c5nnc(-c6ccc(C(F)(F)F)cc6)o5)cc4)cc3)o2)cc1.Fc1c(F)c(F)c(N(c2ccc(-c3ccc(N(c4c(F)c(F)c(F)c(F)c4F)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)c(F)c1F.
What is the InChIKey of N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-naphthalen-1-ylanilino)phenyl]propan-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-1-ylanilino)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine;4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline?
The InChIKey is SOHHXSCYJNHZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32F6N2.C46H30F6N2.C45H24F9N7O3.C44H22F10N2/c48-46(49,50)45(47(51,52)53,35-25-29-39(30-26-35)54(37-17-3-1-4-18-37)43-23-11-15-33-13-7-9-21-41(33)43)36-27-31-40(32-28-36)55(38-19-5-2-6-20-38)44-24-12-16-34-14-8-10-22-42(34)44;47-45(48,49)41-29-35(53(33-17-3-1-4-18-33)43-23-11-15-31-13-7-9-21-37(31)43)25-27-39(41)40-28-26-36(30-42(40)46(50,51)52)54(34-19-5-2-6-20-34)44-24-12-16-32-14-8-10-22-38(32)44;46-43(47,48)31-13-1-25(2-14-31)37-55-58-40(62-37)28-7-19-34(20-8-28)61(35-21-9-29(10-22-35)41-59-56-38(63-41)26-3-15-32(16-4-26)44(49,50)51)36-23-11-30(12-24-36)42-60-57-39(64-42)27-5-17-33(18-6-27)45(52,53)54;45-33-35(47)39(51)43(40(52)36(33)48)55(31-13-5-9-25-7-1-3-11-29(25)31)27-19-15-23(16-20-27)24-17-21-28(22-18-24)56(32-14-6-10-26-8-2-4-12-30(26)32)44-41(53)37(49)34(46)38(50)42(44)54/h1-32H;1-30H;1-24H;1-22H.
What are the key properties of N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-naphthalen-1-ylanilino)phenyl]propan-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-1-ylanilino)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine;4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline?
N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-naphthalen-1-ylanilino)phenyl]propan-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-1-ylanilino)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine;4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline has a molecular weight of 3113.89 g/mol, XLogP of 56.33, 31 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-naphthalen-1-ylanilino)phenyl]propan-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-1-ylanilino)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine;4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline is sourced from PubChem (CID 160891225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).