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

C162H116F28N12O12 — CID 158480884

IUPAC3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine
SMILESCc1cccc(N2COc3c(ccc4c5c(ccc34)CN(c3cccc(C(F)(F)F)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.Fc1cc(F)c(N2COc3cc4cc5c(cc4cc3C2)CN(c2c(F)cc(F)cc2F)CO5)c(F)c1.Fc1cc(F)c(N2COc3cc4ccc5c(c4cc3C2)OCN(c2c(F)cc(F)cc2F)C5)c(F)c1.Fc1ccc(N2COc3cc4cc5c(cc4cc3C2)CN(c2ccc(F)c(F)c2)CO5)cc1F
InChIInChI=1S/C28H20F6N2O2.2C28H23F3N2O2.2C26H16F6N2O2.C26H18F4N2O2/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;1-18-4-2-6-22(12-18)32-14-19-8-10-25-24(26(19)34-16-32)11-9-20-15-33(17-35-27(20)25)23-7-3-5-21(13-23)28(29,30)31;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;27-17-5-19(29)25(20(30)6-17)33-9-15-1-13-2-16-10-34(26-21(31)7-18(28)8-22(26)32)12-36-24(16)4-14(13)3-23(15)35-11-33;27-16-5-19(29)24(20(30)6-16)33-9-14-2-1-13-4-23-15(3-18(13)26(14)36-12-33)10-34(11-35-23)25-21(31)7-17(28)8-22(25)32;27-21-3-1-19(9-23(21)29)31-11-17-5-15-6-18-12-32(20-2-4-22(28)24(30)10-20)14-34-26(18)8-16(15)7-25(17)33-13-31/h1-12H,13-16H2;2*2-13H,14-17H2,1H3;2*1-8H,9-12H2;1-10H,11-14H2
InChIKeyHHMVDLDXPZSLBB-UHFFFAOYSA-N
MW2954.73 g/mol
LogP40.23
Rot. Bonds12

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

3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][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 158480884) has the molecular formula C162H116F28N12O12 and a molecular weight of 2954.73 g/mol. Its IUPAC name is 3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][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 Name3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][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 CID158480884
Molecular FormulaC162H116F28N12O12
Molecular Weight2954.73 g/mol
Exact Mass2952.84
IUPAC Name3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine
SMILESCc1cccc(N2COc3c(ccc4c5c(ccc34)CN(c3cccc(C(F)(F)F)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.Fc1cc(F)c(N2COc3cc4cc5c(cc4cc3C2)CN(c2c(F)cc(F)cc2F)CO5)c(F)c1.Fc1cc(F)c(N2COc3cc4ccc5c(c4cc3C2)OCN(c2c(F)cc(F)cc2F)C5)c(F)c1.Fc1ccc(N2COc3cc4cc5c(cc4cc3C2)CN(c2ccc(F)c(F)c2)CO5)cc1F
InChIInChI=1S/C28H20F6N2O2.2C28H23F3N2O2.2C26H16F6N2O2.C26H18F4N2O2/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;1-18-4-2-6-22(12-18)32-14-19-8-10-25-24(26(19)34-16-32)11-9-20-15-33(17-35-27(20)25)23-7-3-5-21(13-23)28(29,30)31;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;27-17-5-19(29)25(20(30)6-17)33-9-15-1-13-2-16-10-34(26-21(31)7-18(28)8-22(26)32)12-36-24(16)4-14(13)3-23(15)35-11-33;27-16-5-19(29)24(20(30)6-16)33-9-14-2-1-13-4-23-15(3-18(13)26(14)36-12-33)10-34(11-35-23)25-21(31)7-17(28)8-22(25)32;27-21-3-1-19(9-23(21)29)31-11-17-5-15-6-18-12-32(20-2-4-22(28)24(30)10-20)14-34-26(18)8-16(15)7-25(17)33-13-31/h1-12H,13-16H2;2*2-13H,14-17H2,1H3;2*1-8H,9-12H2;1-10H,11-14H2
InChIKeyHHMVDLDXPZSLBB-UHFFFAOYSA-N
XLogP40.23
TPSA149.64 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002954.73
LogP ≤ 540.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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

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Related Compounds

3,4,15,16-Tetramethoxy-10-methyl-8-[(4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)methyl]-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene
CID 7566679
3,8-Bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine
CID 57689559
2,8-Bis[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine
CID 57689560
3,8-Bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine
CID 57689561
3,10-Bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine
CID 57689562
3,8-Bis(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine
CID 57689563
3,10-Bis[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine
CID 57689564
8-(3-Methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine
CID 58372162
3,10-Bis(3,4-difluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine
CID 58422112
6-Methoxy-7-[2-[6-[2-(6-methoxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-1,5-bis(trifluoromethyl)naphthalen-2-yl]ethenyl]-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 58932036
10-(3-Methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine
CID 59547481
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
CID 68196855

Frequently Asked Questions

What is the IUPAC name of 3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][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 3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][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 158480884) is 3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][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 3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][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 3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][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 Cc1cccc(N2COc3c(ccc4c5c(ccc34)CN(c3cccc(C(F)(F)F)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.Fc1cc(F)c(N2COc3cc4cc5c(cc4cc3C2)CN(c2c(F)cc(F)cc2F)CO5)c(F)c1.Fc1cc(F)c(N2COc3cc4ccc5c(c4cc3C2)OCN(c2c(F)cc(F)cc2F)C5)c(F)c1.Fc1ccc(N2COc3cc4cc5c(cc4cc3C2)CN(c2ccc(F)c(F)c2)CO5)cc1F.
What is the InChIKey of 3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][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 HHMVDLDXPZSLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F6N2O2.2C28H23F3N2O2.2C26H16F6N2O2.C26H18F4N2O2/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;1-18-4-2-6-22(12-18)32-14-19-8-10-25-24(26(19)34-16-32)11-9-20-15-33(17-35-27(20)25)23-7-3-5-21(13-23)28(29,30)31;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;27-17-5-19(29)25(20(30)6-17)33-9-15-1-13-2-16-10-34(26-21(31)7-18(28)8-22(26)32)12-36-24(16)4-14(13)3-23(15)35-11-33;27-16-5-19(29)24(20(30)6-16)33-9-14-2-1-13-4-23-15(3-18(13)26(14)36-12-33)10-34(11-35-23)25-21(31)7-17(28)8-22(25)32;27-21-3-1-19(9-23(21)29)31-11-17-5-15-6-18-12-32(20-2-4-22(28)24(30)10-20)14-34-26(18)8-16(15)7-25(17)33-13-31/h1-12H,13-16H2;2*2-13H,14-17H2,1H3;2*1-8H,9-12H2;1-10H,11-14H2.
What are the key properties of 3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine?
3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][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 2954.73 g/mol, XLogP of 40.23, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis(2,4,6-trifluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][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 158480884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).