N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-1-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine

C197H118F8N12O8 — CID 167711504

IUPACN,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-1-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine
SMILESFC(F)(F)c1ccc2cc(-c3ccc4cc(N(c5ccc(-c6nc7ccccc7o6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc4c3)ccc2c1.Fc1cc2ccc(-c3ccc4cc(N(c5ccc(-c6nc7ccccc7o6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc4c3)cc2cc1F.Fc1cc2cccc(-c3ccc4cc(N(c5ccc(-c6nc7ccccc7o6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc4c3)c2cc1F.Fc1ccc2cc(-c3ccc4cc(N(c5ccc(-c6ccc(-c7nc8ccccc8o7)cc6)cc5)c5ccc(-c6ccc(-c7nc8ccccc8o7)cc6)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C58H36FN3O2.C47H28F3N3O2.2C46H27F2N3O2/c59-49-27-21-45-33-43(17-19-47(45)35-49)44-18-20-48-36-52(32-26-46(48)34-44)62(50-28-22-39(23-29-50)37-9-13-41(14-10-37)57-60-53-5-1-3-7-55(53)63-57)51-30-24-40(25-31-51)38-11-15-42(16-12-38)58-61-54-6-2-4-8-56(54)64-58;48-47(49,50)37-19-13-33-25-31(9-11-35(33)27-37)32-10-12-36-28-40(24-18-34(36)26-32)53(38-20-14-29(15-21-38)45-51-41-5-1-3-7-43(41)54-45)39-22-16-30(17-23-39)46-52-42-6-2-4-8-44(42)55-46;47-39-26-32-6-5-7-37(38(32)27-40(39)48)33-13-12-31-25-36(23-18-30(31)24-33)51(34-19-14-28(15-20-34)45-49-41-8-1-3-10-43(41)52-45)35-21-16-29(17-22-35)46-50-42-9-2-4-11-44(42)53-46;47-39-26-34-12-10-31(24-35(34)27-40(39)48)30-9-11-33-25-38(22-17-32(33)23-30)51(36-18-13-28(14-19-36)45-49-41-5-1-3-7-43(41)52-45)37-20-15-29(16-21-37)46-50-42-6-2-4-8-44(42)53-46/h1-36H;1-28H;2*1-27H
InChIKeyZXEQHQDUODMOTA-UHFFFAOYSA-N
MW2933.17 g/mol
LogP56.03
Rot. Bonds26

About N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-1-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine

N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-1-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine (PubChem CID 167711504) has the molecular formula C197H118F8N12O8 and a molecular weight of 2933.17 g/mol. Its IUPAC name is N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-1-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine.

Molecular Properties

Compound NameN,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-1-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine
PubChem CID167711504
Molecular FormulaC197H118F8N12O8
Molecular Weight2933.17 g/mol
Exact Mass2930.91
IUPAC NameN,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-1-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine
SMILESFC(F)(F)c1ccc2cc(-c3ccc4cc(N(c5ccc(-c6nc7ccccc7o6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc4c3)ccc2c1.Fc1cc2ccc(-c3ccc4cc(N(c5ccc(-c6nc7ccccc7o6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc4c3)cc2cc1F.Fc1cc2cccc(-c3ccc4cc(N(c5ccc(-c6nc7ccccc7o6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc4c3)c2cc1F.Fc1ccc2cc(-c3ccc4cc(N(c5ccc(-c6ccc(-c7nc8ccccc8o7)cc6)cc5)c5ccc(-c6ccc(-c7nc8ccccc8o7)cc6)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C58H36FN3O2.C47H28F3N3O2.2C46H27F2N3O2/c59-49-27-21-45-33-43(17-19-47(45)35-49)44-18-20-48-36-52(32-26-46(48)34-44)62(50-28-22-39(23-29-50)37-9-13-41(14-10-37)57-60-53-5-1-3-7-55(53)63-57)51-30-24-40(25-31-51)38-11-15-42(16-12-38)58-61-54-6-2-4-8-56(54)64-58;48-47(49,50)37-19-13-33-25-31(9-11-35(33)27-37)32-10-12-36-28-40(24-18-34(36)26-32)53(38-20-14-29(15-21-38)45-51-41-5-1-3-7-43(41)54-45)39-22-16-30(17-23-39)46-52-42-6-2-4-8-44(42)55-46;47-39-26-32-6-5-7-37(38(32)27-40(39)48)33-13-12-31-25-36(23-18-30(31)24-33)51(34-19-14-28(15-20-34)45-49-41-8-1-3-10-43(41)52-45)35-21-16-29(17-22-35)46-50-42-9-2-4-11-44(42)53-46;47-39-26-34-12-10-31(24-35(34)27-40(39)48)30-9-11-33-25-38(22-17-32(33)23-30)51(36-18-13-28(14-19-36)45-49-41-5-1-3-7-43(41)52-45)37-20-15-29(16-21-37)46-50-42-6-2-4-8-44(42)53-46/h1-36H;1-28H;2*1-27H
InChIKeyZXEQHQDUODMOTA-UHFFFAOYSA-N
XLogP56.03
TPSA221.20 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002933.17
LogP ≤ 556.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-1-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine with MolForge

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Related Compounds

5-Benzoxazoleethanol, beta-methyl-2-phenyl-, hydrate (4:1)
CID 46400
6-Fluoro-2-[4-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole
CID 12782441
5-[1,1,1,3,3,3-Hexafluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-benzoxazole
CID 18739355
2-Methyl-6-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazole
CID 18739357
2-(4-Fluorophenyl)-6-[3-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole
CID 19759992
2-[3,8-Bis(2,4-dimethylphenyl)pyren-1-yl]-5-(4-fluorophenyl)-1,3-benzoxazole
CID 57610590
2-[3,8-Di(dibenzofuran-4-yl)pyren-1-yl]-5-(4-fluorophenyl)-1,3-benzoxazole
CID 57610595
5-(4-Fluorophenyl)-2-(6-naphthalen-2-ylpyren-1-yl)-1,3-benzoxazole
CID 57610648
2-[3,8-Bis(2,4,6-trimethylphenyl)pyren-1-yl]-5-(3-fluorophenyl)-1,3-benzoxazole
CID 57610668
2-(3,6-Dinaphthalen-1-ylpyren-1-yl)-5-(4-fluorophenyl)-1,3-benzoxazole
CID 57610695
2-[3,8-Bis(4-fluorophenyl)pyren-1-yl]-1,3-benzoxazole
CID 57610706
2-[3,8-Bis(2,4-dimethylphenyl)pyren-1-yl]-5-(3-fluorophenyl)-1,3-benzoxazole
CID 57610735

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-1-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine?
The IUPAC name of N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-1-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine (CID 167711504) is N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-1-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine.
What is the SMILES notation for N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-1-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine?
The canonical SMILES for N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-1-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine is FC(F)(F)c1ccc2cc(-c3ccc4cc(N(c5ccc(-c6nc7ccccc7o6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc4c3)ccc2c1.Fc1cc2ccc(-c3ccc4cc(N(c5ccc(-c6nc7ccccc7o6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc4c3)cc2cc1F.Fc1cc2cccc(-c3ccc4cc(N(c5ccc(-c6nc7ccccc7o6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc4c3)c2cc1F.Fc1ccc2cc(-c3ccc4cc(N(c5ccc(-c6ccc(-c7nc8ccccc8o7)cc6)cc5)c5ccc(-c6ccc(-c7nc8ccccc8o7)cc6)cc5)ccc4c3)ccc2c1.
What is the InChIKey of N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-1-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine?
The InChIKey is ZXEQHQDUODMOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36FN3O2.C47H28F3N3O2.2C46H27F2N3O2/c59-49-27-21-45-33-43(17-19-47(45)35-49)44-18-20-48-36-52(32-26-46(48)34-44)62(50-28-22-39(23-29-50)37-9-13-41(14-10-37)57-60-53-5-1-3-7-55(53)63-57)51-30-24-40(25-31-51)38-11-15-42(16-12-38)58-61-54-6-2-4-8-56(54)64-58;48-47(49,50)37-19-13-33-25-31(9-11-35(33)27-37)32-10-12-36-28-40(24-18-34(36)26-32)53(38-20-14-29(15-21-38)45-51-41-5-1-3-7-43(41)54-45)39-22-16-30(17-23-39)46-52-42-6-2-4-8-44(42)55-46;47-39-26-32-6-5-7-37(38(32)27-40(39)48)33-13-12-31-25-36(23-18-30(31)24-33)51(34-19-14-28(15-20-34)45-49-41-8-1-3-10-43(41)52-45)35-21-16-29(17-22-35)46-50-42-9-2-4-11-44(42)53-46;47-39-26-34-12-10-31(24-35(34)27-40(39)48)30-9-11-33-25-38(22-17-32(33)23-30)51(36-18-13-28(14-19-36)45-49-41-5-1-3-7-43(41)52-45)37-20-15-29(16-21-37)46-50-42-6-2-4-8-44(42)53-46/h1-36H;1-28H;2*1-27H.
What are the key properties of N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-1-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine?
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-1-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine has a molecular weight of 2933.17 g/mol, XLogP of 56.03, 26 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-1-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(6,7-difluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-(6-fluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine is sourced from PubChem (CID 167711504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).