2,8-bis(3-methylphenyl)-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-8-(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-10-(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3,4-difluorophenyl)-3-(3-fluoro-4-methylphenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine

C165H128F22N12O12 — CID 159895579

About 2,8-bis(3-methylphenyl)-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-8-(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-10-(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3,4-difluorophenyl)-3-(3-fluoro-4-methylphenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine

2,8-bis(3-methylphenyl)-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-8-(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-10-(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3,4-difluorophenyl)-3-(3-fluoro-4-methylphenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine (PubChem CID 159895579) has the molecular formula C165H128F22N12O12 and a molecular weight of 2888.87 g/mol. Its IUPAC name is 2,8-bis(3-methylphenyl)-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-8-(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-10-(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3,4-difluorophenyl)-3-(3-fluoro-4-methylphenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine.

Molecular Properties

• Compound Name: 2,8-bis(3-methylphenyl)-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-8-(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-10-(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3,4-difluorophenyl)-3-(3-fluoro-4-methylphenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine
• PubChem CID: 159895579
• Molecular Formula: C165H128F22N12O12
• Molecular Weight: 2888.87 g/mol
• Exact Mass: 2886.94
• IUPAC Name: 2,8-bis(3-methylphenyl)-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-8-(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-10-(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3,4-difluorophenyl)-3-(3-fluoro-4-methylphenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine
• SMILES: Cc1cc(F)c(N2COc3c(ccc4cc5c(cc34)CN(c3c(F)cc(F)cc3F)CO5)C2)c(F)c1.Cc1cc(F)c(N2COc3cc4cc5c(cc4cc3C2)CN(c2c(F)cc(F)cc2F)CO5)c(F)c1.Cc1ccc(N2COc3cc4cc5c(cc4cc3C2)CN(c2ccc(F)c(F)c2)CO5)cc1F.Cc1cccc(N2COc3c(ccc4c5c(ccc34)CN(c3cccc(C)c3)CO5)C2)c1.Cc1cccc(N2COc3cc4ccc5c(c4cc3C2)OCN(c2cccc(C(F)(F)F)c2)C5)c1.FC(F)(F)c1ccccc1N1COc2cc3cc4c(cc3cc2C1)CN(c1ccccc1C(F)(F)F)CO4
• InChI: InChI=1S/C28H20F6N2O2.C28H23F3N2O2.C28H26N2O2.2C27H19F5N2O2.C27H21F3N2O2/c29-27(30,31)21-5-1-3-7-23(21)35-13-19-9-17-10-20-14-36(24-8-4-2-6-22(24)28(32,33)34)16-38-26(20)12-18(17)11-25(19)37-15-35;1-18-4-2-6-23(10-18)33-15-21-11-25-19(12-26(21)34-16-33)8-9-20-14-32(17-35-27(20)25)24-7-3-5-22(13-24)28(29,30)31;1-19-5-3-7-23(13-19)29-15-21-9-11-26-25(27(21)31-17-29)12-10-22-16-30(18-32-28(22)26)24-8-4-6-20(2)14-24;1-14-2-20(29)26(21(30)3-14)33-10-17-4-15-5-18-11-34(27-22(31)8-19(28)9-23(27)32)13-36-25(18)7-16(15)6-24(17)35-12-33;1-14-4-20(29)25(21(30)5-14)33-10-16-3-2-15-7-24-17(6-19(15)27(16)36-13-33)11-34(12-35-24)26-22(31)8-18(28)9-23(26)32;1-16-2-3-21(10-24(16)29)31-12-19-6-17-7-20-13-32(22-4-5-23(28)25(30)11-22)15-34-27(20)9-18(17)8-26(19)33-14-31/h1-12H,13-16H2;2-13H,14-17H2,1H3;3-14H,15-18H2,1-2H3;2*2-9H,10-13H2,1H3;2-11H,12-15H2,1H3
• InChIKey: NVHLCEJLTDPCLR-UHFFFAOYSA-N
• XLogP: 40.03
• TPSA: 149.64 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2888.87
LogP ≤ 5	40.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(3-methylphenyl)-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-8-(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-10-(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3,4-difluorophenyl)-3-(3-fluoro-4-methylphenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine?

The IUPAC name of 2,8-bis(3-methylphenyl)-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-8-(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-10-(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3,4-difluorophenyl)-3-(3-fluoro-4-methylphenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine (CID 159895579) is 2,8-bis(3-methylphenyl)-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-8-(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-10-(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3,4-difluorophenyl)-3-(3-fluoro-4-methylphenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine.

What is the SMILES notation for 2,8-bis(3-methylphenyl)-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-8-(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-10-(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3,4-difluorophenyl)-3-(3-fluoro-4-methylphenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine?

The canonical SMILES for 2,8-bis(3-methylphenyl)-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-8-(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-10-(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3,4-difluorophenyl)-3-(3-fluoro-4-methylphenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine is Cc1cc(F)c(N2COc3c(ccc4cc5c(cc34)CN(c3c(F)cc(F)cc3F)CO5)C2)c(F)c1.Cc1cc(F)c(N2COc3cc4cc5c(cc4cc3C2)CN(c2c(F)cc(F)cc2F)CO5)c(F)c1.Cc1ccc(N2COc3cc4cc5c(cc4cc3C2)CN(c2ccc(F)c(F)c2)CO5)cc1F.Cc1cccc(N2COc3c(ccc4c5c(ccc34)CN(c3cccc(C)c3)CO5)C2)c1.Cc1cccc(N2COc3cc4ccc5c(c4cc3C2)OCN(c2cccc(C(F)(F)F)c2)C5)c1.FC(F)(F)c1ccccc1N1COc2cc3cc4c(cc3cc2C1)CN(c1ccccc1C(F)(F)F)CO4.

What is the InChIKey of 2,8-bis(3-methylphenyl)-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-8-(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-10-(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3,4-difluorophenyl)-3-(3-fluoro-4-methylphenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine?

The InChIKey is NVHLCEJLTDPCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F6N2O2.C28H23F3N2O2.C28H26N2O2.2C27H19F5N2O2.C27H21F3N2O2/c29-27(30,31)21-5-1-3-7-23(21)35-13-19-9-17-10-20-14-36(24-8-4-2-6-22(24)28(32,33)34)16-38-26(20)12-18(17)11-25(19)37-15-35;1-18-4-2-6-23(10-18)33-15-21-11-25-19(12-26(21)34-16-33)8-9-20-14-32(17-35-27(20)25)24-7-3-5-22(13-24)28(29,30)31;1-19-5-3-7-23(13-19)29-15-21-9-11-26-25(27(21)31-17-29)12-10-22-16-30(18-32-28(22)26)24-8-4-6-20(2)14-24;1-14-2-20(29)26(21(30)3-14)33-10-17-4-15-5-18-11-34(27-22(31)8-19(28)9-23(27)32)13-36-25(18)7-16(15)6-24(17)35-12-33;1-14-4-20(29)25(21(30)5-14)33-10-16-3-2-15-7-24-17(6-19(15)27(16)36-13-33)11-34(12-35-24)26-22(31)8-18(28)9-23(26)32;1-16-2-3-21(10-24(16)29)31-12-19-6-17-7-20-13-32(22-4-5-23(28)25(30)11-22)15-34-27(20)9-18(17)8-26(19)33-14-31/h1-12H,13-16H2;2-13H,14-17H2,1H3;3-14H,15-18H2,1-2H3;2*2-9H,10-13H2,1H3;2-11H,12-15H2,1H3.

What are the key properties of 2,8-bis(3-methylphenyl)-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-8-(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-10-(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3,4-difluorophenyl)-3-(3-fluoro-4-methylphenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine?

2,8-bis(3-methylphenyl)-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-8-(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-10-(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3,4-difluorophenyl)-3-(3-fluoro-4-methylphenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine has a molecular weight of 2888.87 g/mol, XLogP of 40.03, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-bis(3-methylphenyl)-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-8-(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3-(2,6-difluoro-4-methylphenyl)-10-(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3,4-difluorophenyl)-3-(3-fluoro-4-methylphenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine is sourced from PubChem (CID 159895579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).