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

C140H106F22N8O8 — CID 159041861

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;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,3,4,8,9,10,11-octahydrobenzo[a]anthracene;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine
SMILESCc1cccc(C2CCc3cc4ccc5c(c4cc3C2)CCC(c2cccc(C(F)(F)F)c2)C5)c1.Cc1cccc(N2COc3c(ccc4c5c(ccc34)CN(c3cccc(C(F)(F)F)c3)CO5)C2)c1.FC(F)(F)c1ccccc1N1COc2cc3cc4c(cc3cc2C1)CN(c1ccccc1C(F)(F)F)CO4.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/C32H29F3.C28H20F6N2O2.C28H23F3N2O2.C26H16F6N2O2.C26H18F4N2O2/c1-20-4-2-5-21(14-20)23-8-9-25-16-27-11-10-26-15-24(12-13-30(26)31(27)19-28(25)17-23)22-6-3-7-29(18-22)32(33,34)35;29-27(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;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/h2-7,10-11,14,16,18-19,23-24H,8-9,12-13,15,17H2,1H3;1-12H,13-16H2;2-13H,14-17H2,1H3;1-8H,9-12H2;1-10H,11-14H2
InChIKeyJWDTVOMTMPBFSU-UHFFFAOYSA-N
MW2446.39 g/mol
LogP35.68
Rot. Bonds10

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;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,3,4,8,9,10,11-octahydrobenzo[a]anthracene;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-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;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,3,4,8,9,10,11-octahydrobenzo[a]anthracene;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine (PubChem CID 159041861) has the molecular formula C140H106F22N8O8 and a molecular weight of 2446.39 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;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,3,4,8,9,10,11-octahydrobenzo[a]anthracene;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-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;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,3,4,8,9,10,11-octahydrobenzo[a]anthracene;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine
PubChem CID159041861
Molecular FormulaC140H106F22N8O8
Molecular Weight2446.39 g/mol
Exact Mass2444.78
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;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,3,4,8,9,10,11-octahydrobenzo[a]anthracene;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine
SMILESCc1cccc(C2CCc3cc4ccc5c(c4cc3C2)CCC(c2cccc(C(F)(F)F)c2)C5)c1.Cc1cccc(N2COc3c(ccc4c5c(ccc34)CN(c3cccc(C(F)(F)F)c3)CO5)C2)c1.FC(F)(F)c1ccccc1N1COc2cc3cc4c(cc3cc2C1)CN(c1ccccc1C(F)(F)F)CO4.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/C32H29F3.C28H20F6N2O2.C28H23F3N2O2.C26H16F6N2O2.C26H18F4N2O2/c1-20-4-2-5-21(14-20)23-8-9-25-16-27-11-10-26-15-24(12-13-30(26)31(27)19-28(25)17-23)22-6-3-7-29(18-22)32(33,34)35;29-27(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;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/h2-7,10-11,14,16,18-19,23-24H,8-9,12-13,15,17H2,1H3;1-12H,13-16H2;2-13H,14-17H2,1H3;1-8H,9-12H2;1-10H,11-14H2
InChIKeyJWDTVOMTMPBFSU-UHFFFAOYSA-N
XLogP35.68
TPSA99.76 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002446.39
LogP ≤ 535.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,3,4,8,9,10,11-octahydrobenzo[a]anthracene;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-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
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
3-(3-Methylphenyl)-10-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine
CID 68266468

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;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,3,4,8,9,10,11-octahydrobenzo[a]anthracene;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-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;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,3,4,8,9,10,11-octahydrobenzo[a]anthracene;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine (CID 159041861) 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;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,3,4,8,9,10,11-octahydrobenzo[a]anthracene;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-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;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,3,4,8,9,10,11-octahydrobenzo[a]anthracene;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-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;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,3,4,8,9,10,11-octahydrobenzo[a]anthracene;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine is Cc1cccc(C2CCc3cc4ccc5c(c4cc3C2)CCC(c2cccc(C(F)(F)F)c2)C5)c1.Cc1cccc(N2COc3c(ccc4c5c(ccc34)CN(c3cccc(C(F)(F)F)c3)CO5)C2)c1.FC(F)(F)c1ccccc1N1COc2cc3cc4c(cc3cc2C1)CN(c1ccccc1C(F)(F)F)CO4.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;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,3,4,8,9,10,11-octahydrobenzo[a]anthracene;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine?
The InChIKey is JWDTVOMTMPBFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F3.C28H20F6N2O2.C28H23F3N2O2.C26H16F6N2O2.C26H18F4N2O2/c1-20-4-2-5-21(14-20)23-8-9-25-16-27-11-10-26-15-24(12-13-30(26)31(27)19-28(25)17-23)22-6-3-7-29(18-22)32(33,34)35;29-27(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;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/h2-7,10-11,14,16,18-19,23-24H,8-9,12-13,15,17H2,1H3;1-12H,13-16H2;2-13H,14-17H2,1H3;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;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,3,4,8,9,10,11-octahydrobenzo[a]anthracene;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-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;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,3,4,8,9,10,11-octahydrobenzo[a]anthracene;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine has a molecular weight of 2446.39 g/mol, XLogP of 35.68, 10 rotatable bonds, 0 hydrogen bond donors, and 16 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;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,3,4,8,9,10,11-octahydrobenzo[a]anthracene;8-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazine is sourced from PubChem (CID 159041861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).