2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-2-phenylphenyl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-2-phenylphenyl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ6-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9,9-dioxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ4-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9-oxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

C214H186N30O7S4Se2 — CID 161321018

IUPAC2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-2-phenylphenyl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-2-phenylphenyl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ6-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9,9-dioxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ4-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9-oxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESCc1ccc(N2c3ncccc3Cc3cccnc32)c(-c2ccccc2)c1.Cc1ccc(N2c3ncccc3Cc3cccnc32)c2c1CCCC2.Cc1ccc(N2c3ncccc3Oc3cccnc32)c2c1CCCC2.Cc1ccc(N2c3ncccc3Oc3cccnc32)c2c1CCCO2.Cc1ccc(N2c3ncccc3S(=O)(=O)c3cccnc32)c2c1CCCC2.Cc1ccc(N2c3ncccc3S(=O)c3cccnc32)c2c1CCCC2.Cc1ccc(N2c3ncccc3Sc3cccnc32)c2c1CCCC2.Cc1ccc(N2c3ncccc3Sc3cccnc32)c2c1CCCO2.Cc1ccc(N2c3ncccc3[Se]c3cccnc32)c(-c2ccccc2)c1.Cc1ccc(N2c3ncccc3[Se]c3cccnc32)c2c1CCCC2
InChIInChI=1S/C24H19N3.C23H17N3Se.C22H21N3.C21H19N3O2S.C21H19N3OS.C21H19N3O.C21H19N3S.C21H19N3Se.C20H17N3O2.C20H17N3OS/c1-17-11-12-22(21(15-17)18-7-3-2-4-8-18)27-23-19(9-5-13-25-23)16-20-10-6-14-26-24(20)27;1-16-11-12-19(18(15-16)17-7-3-2-4-8-17)26-22-20(9-5-13-24-22)27-21-10-6-14-25-23(21)26;1-15-10-11-20(19-9-3-2-8-18(15)19)25-21-16(6-4-12-23-21)14-17-7-5-13-24-22(17)25;1-14-10-11-17(16-7-3-2-6-15(14)16)24-20-18(8-4-12-22-20)27(25,26)19-9-5-13-23-21(19)24;1-14-10-11-17(16-7-3-2-6-15(14)16)24-20-18(8-4-12-22-20)26(25)19-9-5-13-23-21(19)24;3*1-14-10-11-17(16-7-3-2-6-15(14)16)24-20-18(8-4-12-22-20)25-19-9-5-13-23-21(19)24;2*1-13-8-9-15(18-14(13)5-4-12-24-18)23-19-16(6-2-10-21-19)25-17-7-3-11-22-20(17)23/h2-15H,16H2,1H3;2-15H,1H3;4-7,10-13H,2-3,8-9,14H2,1H3;4-5,8-13H,2-3,6-7H2,1H3;4-5,8-13H,2-3,6-7H2,1H3;3*4-5,8-13H,2-3,6-7H2,1H3;2*2-3,6-11H,4-5,12H2,1H3
InChIKeyVKDMITPGNLSCPN-UHFFFAOYSA-N
MW3576.23 g/mol
LogP47.32
Rot. Bonds12

About 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-2-phenylphenyl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-2-phenylphenyl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ6-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9,9-dioxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ4-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9-oxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-2-phenylphenyl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-2-phenylphenyl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ6-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9,9-dioxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ4-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9-oxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (PubChem CID 161321018) has the molecular formula C214H186N30O7S4Se2 and a molecular weight of 3576.23 g/mol. Its IUPAC name is 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-2-phenylphenyl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-2-phenylphenyl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ6-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9,9-dioxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ4-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9-oxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-2-phenylphenyl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-2-phenylphenyl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ6-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9,9-dioxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ4-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9-oxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
PubChem CID161321018
Molecular FormulaC214H186N30O7S4Se2
Molecular Weight3576.23 g/mol
Exact Mass3575.23
IUPAC Name2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-2-phenylphenyl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-2-phenylphenyl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ6-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9,9-dioxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ4-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9-oxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESCc1ccc(N2c3ncccc3Cc3cccnc32)c(-c2ccccc2)c1.Cc1ccc(N2c3ncccc3Cc3cccnc32)c2c1CCCC2.Cc1ccc(N2c3ncccc3Oc3cccnc32)c2c1CCCC2.Cc1ccc(N2c3ncccc3Oc3cccnc32)c2c1CCCO2.Cc1ccc(N2c3ncccc3S(=O)(=O)c3cccnc32)c2c1CCCC2.Cc1ccc(N2c3ncccc3S(=O)c3cccnc32)c2c1CCCC2.Cc1ccc(N2c3ncccc3Sc3cccnc32)c2c1CCCC2.Cc1ccc(N2c3ncccc3Sc3cccnc32)c2c1CCCO2.Cc1ccc(N2c3ncccc3[Se]c3cccnc32)c(-c2ccccc2)c1.Cc1ccc(N2c3ncccc3[Se]c3cccnc32)c2c1CCCC2
InChIInChI=1S/C24H19N3.C23H17N3Se.C22H21N3.C21H19N3O2S.C21H19N3OS.C21H19N3O.C21H19N3S.C21H19N3Se.C20H17N3O2.C20H17N3OS/c1-17-11-12-22(21(15-17)18-7-3-2-4-8-18)27-23-19(9-5-13-25-23)16-20-10-6-14-26-24(20)27;1-16-11-12-19(18(15-16)17-7-3-2-4-8-17)26-22-20(9-5-13-24-22)27-21-10-6-14-25-23(21)26;1-15-10-11-20(19-9-3-2-8-18(15)19)25-21-16(6-4-12-23-21)14-17-7-5-13-24-22(17)25;1-14-10-11-17(16-7-3-2-6-15(14)16)24-20-18(8-4-12-22-20)27(25,26)19-9-5-13-23-21(19)24;1-14-10-11-17(16-7-3-2-6-15(14)16)24-20-18(8-4-12-22-20)26(25)19-9-5-13-23-21(19)24;3*1-14-10-11-17(16-7-3-2-6-15(14)16)24-20-18(8-4-12-22-20)25-19-9-5-13-23-21(19)24;2*1-13-8-9-15(18-14(13)5-4-12-24-18)23-19-16(6-2-10-21-19)25-17-7-3-11-22-20(17)23/h2-15H,16H2,1H3;2-15H,1H3;4-7,10-13H,2-3,8-9,14H2,1H3;4-5,8-13H,2-3,6-7H2,1H3;4-5,8-13H,2-3,6-7H2,1H3;3*4-5,8-13H,2-3,6-7H2,1H3;2*2-3,6-11H,4-5,12H2,1H3
InChIKeyVKDMITPGNLSCPN-UHFFFAOYSA-N
XLogP47.32
TPSA378.33 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds12
Heavy Atoms257
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003576.23
LogP ≤ 547.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-2-phenylphenyl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-2-phenylphenyl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ6-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9,9-dioxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ4-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9-oxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene with MolForge

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What is the IUPAC name of 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-2-phenylphenyl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-2-phenylphenyl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ6-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9,9-dioxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ4-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9-oxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The IUPAC name of 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-2-phenylphenyl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-2-phenylphenyl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ6-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9,9-dioxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ4-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9-oxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (CID 161321018) is 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-2-phenylphenyl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-2-phenylphenyl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ6-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9,9-dioxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ4-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9-oxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.
What is the SMILES notation for 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-2-phenylphenyl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-2-phenylphenyl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ6-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9,9-dioxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ4-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9-oxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The canonical SMILES for 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-2-phenylphenyl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-2-phenylphenyl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ6-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9,9-dioxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ4-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9-oxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is Cc1ccc(N2c3ncccc3Cc3cccnc32)c(-c2ccccc2)c1.Cc1ccc(N2c3ncccc3Cc3cccnc32)c2c1CCCC2.Cc1ccc(N2c3ncccc3Oc3cccnc32)c2c1CCCC2.Cc1ccc(N2c3ncccc3Oc3cccnc32)c2c1CCCO2.Cc1ccc(N2c3ncccc3S(=O)(=O)c3cccnc32)c2c1CCCC2.Cc1ccc(N2c3ncccc3S(=O)c3cccnc32)c2c1CCCC2.Cc1ccc(N2c3ncccc3Sc3cccnc32)c2c1CCCC2.Cc1ccc(N2c3ncccc3Sc3cccnc32)c2c1CCCO2.Cc1ccc(N2c3ncccc3[Se]c3cccnc32)c(-c2ccccc2)c1.Cc1ccc(N2c3ncccc3[Se]c3cccnc32)c2c1CCCC2.
What is the InChIKey of 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-2-phenylphenyl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-2-phenylphenyl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ6-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9,9-dioxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ4-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9-oxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The InChIKey is VKDMITPGNLSCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3.C23H17N3Se.C22H21N3.C21H19N3O2S.C21H19N3OS.C21H19N3O.C21H19N3S.C21H19N3Se.C20H17N3O2.C20H17N3OS/c1-17-11-12-22(21(15-17)18-7-3-2-4-8-18)27-23-19(9-5-13-25-23)16-20-10-6-14-26-24(20)27;1-16-11-12-19(18(15-16)17-7-3-2-4-8-17)26-22-20(9-5-13-24-22)27-21-10-6-14-25-23(21)26;1-15-10-11-20(19-9-3-2-8-18(15)19)25-21-16(6-4-12-23-21)14-17-7-5-13-24-22(17)25;1-14-10-11-17(16-7-3-2-6-15(14)16)24-20-18(8-4-12-22-20)27(25,26)19-9-5-13-23-21(19)24;1-14-10-11-17(16-7-3-2-6-15(14)16)24-20-18(8-4-12-22-20)26(25)19-9-5-13-23-21(19)24;3*1-14-10-11-17(16-7-3-2-6-15(14)16)24-20-18(8-4-12-22-20)25-19-9-5-13-23-21(19)24;2*1-13-8-9-15(18-14(13)5-4-12-24-18)23-19-16(6-2-10-21-19)25-17-7-3-11-22-20(17)23/h2-15H,16H2,1H3;2-15H,1H3;4-7,10-13H,2-3,8-9,14H2,1H3;4-5,8-13H,2-3,6-7H2,1H3;4-5,8-13H,2-3,6-7H2,1H3;3*4-5,8-13H,2-3,6-7H2,1H3;2*2-3,6-11H,4-5,12H2,1H3.
What are the key properties of 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-2-phenylphenyl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-2-phenylphenyl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ6-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9,9-dioxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ4-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9-oxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-2-phenylphenyl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-2-phenylphenyl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ6-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9,9-dioxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ4-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9-oxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene has a molecular weight of 3576.23 g/mol, XLogP of 47.32, 12 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-2-phenylphenyl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-2-phenylphenyl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ6-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9,9-dioxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9λ4-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9-oxide;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;2-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is sourced from PubChem (CID 161321018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).