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

C151H93F6N9O6 — CID 167689830

About N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-[4-[4-(2,3-dihydro-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-(6,7-difluoronaphthalen-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-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-[4-[4-(2,3-dihydro-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-(6,7-difluoronaphthalen-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 167689830) has the molecular formula C151H93F6N9O6 and a molecular weight of 2243.45 g/mol. Its IUPAC name is N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-[4-[4-(2,3-dihydro-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-(6,7-difluoronaphthalen-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 Name: N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-[4-[4-(2,3-dihydro-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-(6,7-difluoronaphthalen-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: 167689830
• Molecular Formula: C151H93F6N9O6
• Molecular Weight: 2243.45 g/mol
• Exact Mass: 2241.72
• IUPAC Name: N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-[4-[4-(2,3-dihydro-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-(6,7-difluoronaphthalen-2-yl)naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine
• SMILES: 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.Fc1ccc2cc(-c3ccc4cc(N(c5ccc(-c6ccc(-c7nc8ccccc8o7)cc6)cc5)c5ccc(-c6ccc(C7Nc8ccccc8O7)cc6)cc5)ccc4c3)ccc2c1
• InChI: InChI=1S/C58H38FN3O2.C47H28F3N3O2.C46H27F2N3O2/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;47-39-26-34-12-10-31(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/h1-36,57,60H;1-28H;1-27H
• InChIKey: WTLVQQJCVMMIKO-UHFFFAOYSA-N
• XLogP: 42.70
• TPSA: 161.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2243.45
LogP ≤ 5	42.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-[4-[4-(2,3-dihydro-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-(6,7-difluoronaphthalen-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-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-[4-[4-(2,3-dihydro-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-(6,7-difluoronaphthalen-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 167689830) is N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-[4-[4-(2,3-dihydro-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-(6,7-difluoronaphthalen-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-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-[4-[4-(2,3-dihydro-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-(6,7-difluoronaphthalen-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-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-[4-[4-(2,3-dihydro-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-(6,7-difluoronaphthalen-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.Fc1ccc2cc(-c3ccc4cc(N(c5ccc(-c6ccc(-c7nc8ccccc8o7)cc6)cc5)c5ccc(-c6ccc(C7Nc8ccccc8O7)cc6)cc5)ccc4c3)ccc2c1.

What is the InChIKey of N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-[4-[4-(2,3-dihydro-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-(6,7-difluoronaphthalen-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 WTLVQQJCVMMIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38FN3O2.C47H28F3N3O2.C46H27F2N3O2/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;47-39-26-34-12-10-31(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/h1-36,57,60H;1-28H;1-27H.

What are the key properties of N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-[4-[4-(2,3-dihydro-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-(6,7-difluoronaphthalen-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-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-[4-[4-(2,3-dihydro-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-(6,7-difluoronaphthalen-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 2243.45 g/mol, XLogP of 42.70, 20 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-[4-[4-(2,3-dihydro-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-(6,7-difluoronaphthalen-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 167689830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).