6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[2,3-b][1]benzazepine;6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine;9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine;9-methyl-5-(2-methylphenyl)-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one;15-methyl-2-(2-methylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13(18),14,16-heptaene

C117H95N7O10 — CID 160556161

IUPAC6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[2,3-b][1]benzazepine;6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine;9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine;9-methyl-5-(2-methylphenyl)-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one;15-methyl-2-(2-methylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13(18),14,16-heptaene
SMILESCOc1ccccc1N1c2ccccc2C=Cc2c1oc1ccc(C)cc21.COc1ccccc1N1c2ccccc2N=Nc2c1oc1ccc(C)cc21.Cc1ccc2oc3c(c2c1)CCCc1ccccc1N3c1ccccc1C.Cc1ccc2oc3c(c2c1)OC(=O)c1ccccc1N3c1ccccc1C.Cc1ccc2oc3c(c2c1)OCc1ccccc1N3c1ccccc1C
InChIInChI=1S/C25H23NO.C24H19NO2.C23H17NO3.C23H19NO2.C22H17N3O2/c1-17-14-15-24-21(16-17)20-11-7-10-19-9-4-6-13-23(19)26(25(20)27-24)22-12-5-3-8-18(22)2;1-16-11-14-22-19(15-16)18-13-12-17-7-3-4-8-20(17)25(24(18)27-22)21-9-5-6-10-23(21)26-2;1-14-11-12-20-17(13-14)21-22(26-20)24(18-9-5-3-7-15(18)2)19-10-6-4-8-16(19)23(25)27-21;1-15-11-12-21-18(13-15)22-23(26-21)24(19-9-5-3-7-16(19)2)20-10-6-4-8-17(20)14-25-22;1-14-11-12-19-15(13-14)21-22(27-19)25(18-9-5-6-10-20(18)26-2)17-8-4-3-7-16(17)23-24-21/h3-6,8-9,12-16H,7,10-11H2,1-2H3;3-15H,1-2H3;3-13H,1-2H3;3-13H,14H2,1-2H3;3-13H,1-2H3
InChIKeyQYSAOAGWDQGNGJ-UHFFFAOYSA-N
MW1759.09 g/mol
LogP33.12
Rot. Bonds7

About 6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[2,3-b][1]benzazepine;6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine;9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine;9-methyl-5-(2-methylphenyl)-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one;15-methyl-2-(2-methylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13(18),14,16-heptaene

6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[2,3-b][1]benzazepine;6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine;9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine;9-methyl-5-(2-methylphenyl)-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one;15-methyl-2-(2-methylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13(18),14,16-heptaene (PubChem CID 160556161) has the molecular formula C117H95N7O10 and a molecular weight of 1759.09 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[2,3-b][1]benzazepine;6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine;9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine;9-methyl-5-(2-methylphenyl)-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one;15-methyl-2-(2-methylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13(18),14,16-heptaene.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[2,3-b][1]benzazepine;6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine;9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine;9-methyl-5-(2-methylphenyl)-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one;15-methyl-2-(2-methylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13(18),14,16-heptaene
PubChem CID160556161
Molecular FormulaC117H95N7O10
Molecular Weight1759.09 g/mol
Exact Mass1757.71
IUPAC Name6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[2,3-b][1]benzazepine;6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine;9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine;9-methyl-5-(2-methylphenyl)-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one;15-methyl-2-(2-methylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13(18),14,16-heptaene
SMILESCOc1ccccc1N1c2ccccc2C=Cc2c1oc1ccc(C)cc21.COc1ccccc1N1c2ccccc2N=Nc2c1oc1ccc(C)cc21.Cc1ccc2oc3c(c2c1)CCCc1ccccc1N3c1ccccc1C.Cc1ccc2oc3c(c2c1)OC(=O)c1ccccc1N3c1ccccc1C.Cc1ccc2oc3c(c2c1)OCc1ccccc1N3c1ccccc1C
InChIInChI=1S/C25H23NO.C24H19NO2.C23H17NO3.C23H19NO2.C22H17N3O2/c1-17-14-15-24-21(16-17)20-11-7-10-19-9-4-6-13-23(19)26(25(20)27-24)22-12-5-3-8-18(22)2;1-16-11-14-22-19(15-16)18-13-12-17-7-3-4-8-20(17)25(24(18)27-22)21-9-5-6-10-23(21)26-2;1-14-11-12-20-17(13-14)21-22(26-20)24(18-9-5-3-7-15(18)2)19-10-6-4-8-16(19)23(25)27-21;1-15-11-12-21-18(13-15)22-23(26-21)24(19-9-5-3-7-16(19)2)20-10-6-4-8-17(20)14-25-22;1-14-11-12-19-15(13-14)21-22(27-19)25(18-9-5-6-10-20(18)26-2)17-8-4-3-7-16(17)23-24-21/h3-6,8-9,12-16H,7,10-11H2,1-2H3;3-15H,1-2H3;3-13H,1-2H3;3-13H,14H2,1-2H3;3-13H,1-2H3
InChIKeyQYSAOAGWDQGNGJ-UHFFFAOYSA-N
XLogP33.12
TPSA160.61 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001759.09
LogP ≤ 533.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[2,3-b][1]benzazepine;6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine;9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine;9-methyl-5-(2-methylphenyl)-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one;15-methyl-2-(2-methylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13(18),14,16-heptaene with MolForge

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Related Compounds

10-(2-methoxyphenyl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine;10-(2-methoxyphenyl)-2-methylfuro[2,3-b][4,1]benzoxazepin-5-one;2-(2-methoxyphenyl)-5-methyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(15),3(7),5,11,13-pentaene;2-methyl-10-(2-phenylphenyl)-4,5-dihydrofuro[2,3-b][1]benzazepine;2-methyl-10-(2-phenylphenyl)furo[2,3-b][1]benzazepine;2-methyl-10-(2-phenylphenyl)furo[3,2-c][1,2,5]benzotriazepine
CID 160701231
6-(2-methoxyphenyl)-2,9-dimethyl-11H-[1]benzofuro[2,3-b]quinoline
CID 59573545
2-(2-methoxyphenyl)-6-methyl-9-oxa-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;2-(2-methoxyphenyl)-6-methyl-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-methyl-2-(2-methylphenyl)-9-oxa-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-methyl-2-(2-methylphenyl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene
CID 161010655
2-(2,4-dimethylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene
CID 59572838
2-(4-methyl-2-phenylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene
CID 59573086
5-(2,6-dimethoxy-4-methylphenyl)-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one
CID 59573157
2-methyl-6-(2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline
CID 59572686
6-(2-methoxy-4-methylphenyl)-11H-[1]benzofuro[2,3-b]quinoline
CID 59572702
5-(2,4,6-trimethylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine
CID 59573379
10-(2-methoxyphenyl)-2-methyl-4,5-dihydrofuro[2,3-b][1]benzazepine
CID 59572816
2-(4-tert-butyl-2,6-dimethylphenyl)-6,15-dimethyl-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3(8),4,6,13(18),14,16-heptaene
CID 59573591
10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine;10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one;2-(3,4-dihydro-2H-chromen-8-yl)-5,13-dimethyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(11),3(7),5,12,14-pentaene;2,7-dimethyl-10-(2,4,6-trimethylphenyl)-4,5-dihydrofuro[2,3-b][1]benzazepine;2,7-dimethyl-10-(2,4,6-trimethylphenyl)furo[2,3-b][1]benzazepine;2,7-dimethyl-10-(2,4,6-trimethylphenyl)furo[3,2-c][1,2,5]benzotriazepine
CID 158635382

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[2,3-b][1]benzazepine;6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine;9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine;9-methyl-5-(2-methylphenyl)-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one;15-methyl-2-(2-methylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13(18),14,16-heptaene?
The IUPAC name of 6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[2,3-b][1]benzazepine;6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine;9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine;9-methyl-5-(2-methylphenyl)-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one;15-methyl-2-(2-methylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13(18),14,16-heptaene (CID 160556161) is 6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[2,3-b][1]benzazepine;6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine;9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine;9-methyl-5-(2-methylphenyl)-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one;15-methyl-2-(2-methylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13(18),14,16-heptaene.
What is the SMILES notation for 6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[2,3-b][1]benzazepine;6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine;9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine;9-methyl-5-(2-methylphenyl)-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one;15-methyl-2-(2-methylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13(18),14,16-heptaene?
The canonical SMILES for 6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[2,3-b][1]benzazepine;6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine;9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine;9-methyl-5-(2-methylphenyl)-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one;15-methyl-2-(2-methylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13(18),14,16-heptaene is COc1ccccc1N1c2ccccc2C=Cc2c1oc1ccc(C)cc21.COc1ccccc1N1c2ccccc2N=Nc2c1oc1ccc(C)cc21.Cc1ccc2oc3c(c2c1)CCCc1ccccc1N3c1ccccc1C.Cc1ccc2oc3c(c2c1)OC(=O)c1ccccc1N3c1ccccc1C.Cc1ccc2oc3c(c2c1)OCc1ccccc1N3c1ccccc1C.
What is the InChIKey of 6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[2,3-b][1]benzazepine;6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine;9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine;9-methyl-5-(2-methylphenyl)-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one;15-methyl-2-(2-methylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13(18),14,16-heptaene?
The InChIKey is QYSAOAGWDQGNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO.C24H19NO2.C23H17NO3.C23H19NO2.C22H17N3O2/c1-17-14-15-24-21(16-17)20-11-7-10-19-9-4-6-13-23(19)26(25(20)27-24)22-12-5-3-8-18(22)2;1-16-11-14-22-19(15-16)18-13-12-17-7-3-4-8-20(17)25(24(18)27-22)21-9-5-6-10-23(21)26-2;1-14-11-12-20-17(13-14)21-22(26-20)24(18-9-5-3-7-15(18)2)19-10-6-4-8-16(19)23(25)27-21;1-15-11-12-21-18(13-15)22-23(26-21)24(19-9-5-3-7-16(19)2)20-10-6-4-8-17(20)14-25-22;1-14-11-12-19-15(13-14)21-22(27-19)25(18-9-5-6-10-20(18)26-2)17-8-4-3-7-16(17)23-24-21/h3-6,8-9,12-16H,7,10-11H2,1-2H3;3-15H,1-2H3;3-13H,1-2H3;3-13H,14H2,1-2H3;3-13H,1-2H3.
What are the key properties of 6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[2,3-b][1]benzazepine;6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine;9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine;9-methyl-5-(2-methylphenyl)-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one;15-methyl-2-(2-methylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13(18),14,16-heptaene?
6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[2,3-b][1]benzazepine;6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine;9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine;9-methyl-5-(2-methylphenyl)-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one;15-methyl-2-(2-methylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13(18),14,16-heptaene has a molecular weight of 1759.09 g/mol, XLogP of 33.12, 7 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[2,3-b][1]benzazepine;6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine;9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine;9-methyl-5-(2-methylphenyl)-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one;15-methyl-2-(2-methylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13(18),14,16-heptaene is sourced from PubChem (CID 160556161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).