bis(6-ethyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one);6,10,10,16,16-pentamethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-propan-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one

C213H195F3N12O12S6 — CID 159779283

IUPACbis(6-ethyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one);6,10,10,16,16-pentamethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-propan-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
SMILESCC(C)c1c(-c2nc3c4ccccc4c4ccccc4c3s2)c(=O)oc2c3c4c(cc12)C(C)(C)CCN4CCC3(C)C.CC1(C)CCN2CCC(C)(C)c3c2c1cc1c(C(F)(F)F)c(-c2nc4c5ccccc5c5ccccc5c4s2)c(=O)oc31.CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2nc4c5ccccc5c5ccccc5c4s2)c(=O)oc31.CCc1c(-c2nc3c4ccccc4c4ccccc4c3s2)c(=O)oc2c3c4c(cc12)C(C)(C)CCN4CCC3(C)C.CCc1c(-c2nc3c4ccccc4c4ccccc4c3s2)c(=O)oc2c3c4c(cc12)C(C)(C)CCN4CCC3(C)C.Cc1c(-c2nc3c4ccccc4c4ccccc4c3s2)c(=O)oc2c3c4c(cc12)C(C)(C)CCN4CCC3(C)C
InChIInChI=1S/C37H36N2O2S.2C36H34N2O2S.C35H29F3N2O2S.C35H32N2O2S.C34H30N2O2S/c1-20(2)27-25-19-26-31-29(37(5,6)16-18-39(31)17-15-36(26,3)4)32(25)41-35(40)28(27)34-38-30-23-13-9-7-11-21(23)22-12-8-10-14-24(22)33(30)42-34;2*1-6-20-25-19-26-30-28(36(4,5)16-18-38(30)17-15-35(26,2)3)31(25)40-34(39)27(20)33-37-29-23-13-9-7-11-21(23)22-12-8-10-14-24(22)32(29)41-33;1-33(2)13-15-40-16-14-34(3,4)26-28(40)23(33)17-22-25(35(36,37)38)24(32(41)42-29(22)26)31-39-27-20-11-7-5-9-18(20)19-10-6-8-12-21(19)30(27)43-31;1-19-24-18-25-29-27(35(4,5)15-17-37(29)16-14-34(25,2)3)30(24)39-33(38)26(19)32-36-28-22-12-8-6-10-20(22)21-11-7-9-13-23(21)31(28)40-32;1-33(2)13-15-36-16-14-34(3,4)26-28(36)25(33)18-19-17-24(32(37)38-29(19)26)31-35-27-22-11-7-5-9-20(22)21-10-6-8-12-23(21)30(27)39-31/h7-14,19-20H,15-18H2,1-6H3;2*7-14,19H,6,15-18H2,1-5H3;5-12,17H,13-16H2,1-4H3;6-13,18H,14-17H2,1-5H3;5-12,17-18H,13-16H2,1-4H3
InChIKeyNHDONGUJRLUHPS-UHFFFAOYSA-N
MW3364.37 g/mol
LogP54.85
Rot. Bonds9

About bis(6-ethyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one);6,10,10,16,16-pentamethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-propan-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one

bis(6-ethyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one);6,10,10,16,16-pentamethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-propan-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one (PubChem CID 159779283) has the molecular formula C213H195F3N12O12S6 and a molecular weight of 3364.37 g/mol. Its IUPAC name is bis(6-ethyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one);6,10,10,16,16-pentamethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-propan-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one.

Molecular Properties

Compound Namebis(6-ethyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one);6,10,10,16,16-pentamethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-propan-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
PubChem CID159779283
Molecular FormulaC213H195F3N12O12S6
Molecular Weight3364.37 g/mol
Exact Mass3361.33
IUPAC Namebis(6-ethyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one);6,10,10,16,16-pentamethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-propan-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
SMILESCC(C)c1c(-c2nc3c4ccccc4c4ccccc4c3s2)c(=O)oc2c3c4c(cc12)C(C)(C)CCN4CCC3(C)C.CC1(C)CCN2CCC(C)(C)c3c2c1cc1c(C(F)(F)F)c(-c2nc4c5ccccc5c5ccccc5c4s2)c(=O)oc31.CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2nc4c5ccccc5c5ccccc5c4s2)c(=O)oc31.CCc1c(-c2nc3c4ccccc4c4ccccc4c3s2)c(=O)oc2c3c4c(cc12)C(C)(C)CCN4CCC3(C)C.CCc1c(-c2nc3c4ccccc4c4ccccc4c3s2)c(=O)oc2c3c4c(cc12)C(C)(C)CCN4CCC3(C)C.Cc1c(-c2nc3c4ccccc4c4ccccc4c3s2)c(=O)oc2c3c4c(cc12)C(C)(C)CCN4CCC3(C)C
InChIInChI=1S/C37H36N2O2S.2C36H34N2O2S.C35H29F3N2O2S.C35H32N2O2S.C34H30N2O2S/c1-20(2)27-25-19-26-31-29(37(5,6)16-18-39(31)17-15-36(26,3)4)32(25)41-35(40)28(27)34-38-30-23-13-9-7-11-21(23)22-12-8-10-14-24(22)33(30)42-34;2*1-6-20-25-19-26-30-28(36(4,5)16-18-38(30)17-15-35(26,2)3)31(25)40-34(39)27(20)33-37-29-23-13-9-7-11-21(23)22-12-8-10-14-24(22)32(29)41-33;1-33(2)13-15-40-16-14-34(3,4)26-28(40)23(33)17-22-25(35(36,37)38)24(32(41)42-29(22)26)31-39-27-20-11-7-5-9-18(20)19-10-6-8-12-21(19)30(27)43-31;1-19-24-18-25-29-27(35(4,5)15-17-37(29)16-14-34(25,2)3)30(24)39-33(38)26(19)32-36-28-22-12-8-6-10-20(22)21-11-7-9-13-23(21)31(28)40-32;1-33(2)13-15-36-16-14-34(3,4)26-28(36)25(33)18-19-17-24(32(37)38-29(19)26)31-35-27-22-11-7-5-9-20(22)21-10-6-8-12-23(21)30(27)39-31/h7-14,19-20H,15-18H2,1-6H3;2*7-14,19H,6,15-18H2,1-5H3;5-12,17H,13-16H2,1-4H3;6-13,18H,14-17H2,1-5H3;5-12,17-18H,13-16H2,1-4H3
InChIKeyNHDONGUJRLUHPS-UHFFFAOYSA-N
XLogP54.85
TPSA278.04 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds9
Heavy Atoms246
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003364.37
LogP ≤ 554.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis(6-ethyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one);6,10,10,16,16-pentamethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-propan-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(6-ethyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one);6,10,10,16,16-pentamethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-propan-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one?
The IUPAC name of bis(6-ethyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one);6,10,10,16,16-pentamethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-propan-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one (CID 159779283) is bis(6-ethyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one);6,10,10,16,16-pentamethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-propan-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one.
What is the SMILES notation for bis(6-ethyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one);6,10,10,16,16-pentamethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-propan-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one?
The canonical SMILES for bis(6-ethyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one);6,10,10,16,16-pentamethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-propan-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one is CC(C)c1c(-c2nc3c4ccccc4c4ccccc4c3s2)c(=O)oc2c3c4c(cc12)C(C)(C)CCN4CCC3(C)C.CC1(C)CCN2CCC(C)(C)c3c2c1cc1c(C(F)(F)F)c(-c2nc4c5ccccc5c5ccccc5c4s2)c(=O)oc31.CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2nc4c5ccccc5c5ccccc5c4s2)c(=O)oc31.CCc1c(-c2nc3c4ccccc4c4ccccc4c3s2)c(=O)oc2c3c4c(cc12)C(C)(C)CCN4CCC3(C)C.CCc1c(-c2nc3c4ccccc4c4ccccc4c3s2)c(=O)oc2c3c4c(cc12)C(C)(C)CCN4CCC3(C)C.Cc1c(-c2nc3c4ccccc4c4ccccc4c3s2)c(=O)oc2c3c4c(cc12)C(C)(C)CCN4CCC3(C)C.
What is the InChIKey of bis(6-ethyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one);6,10,10,16,16-pentamethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-propan-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one?
The InChIKey is NHDONGUJRLUHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N2O2S.2C36H34N2O2S.C35H29F3N2O2S.C35H32N2O2S.C34H30N2O2S/c1-20(2)27-25-19-26-31-29(37(5,6)16-18-39(31)17-15-36(26,3)4)32(25)41-35(40)28(27)34-38-30-23-13-9-7-11-21(23)22-12-8-10-14-24(22)33(30)42-34;2*1-6-20-25-19-26-30-28(36(4,5)16-18-38(30)17-15-35(26,2)3)31(25)40-34(39)27(20)33-37-29-23-13-9-7-11-21(23)22-12-8-10-14-24(22)32(29)41-33;1-33(2)13-15-40-16-14-34(3,4)26-28(40)23(33)17-22-25(35(36,37)38)24(32(41)42-29(22)26)31-39-27-20-11-7-5-9-18(20)19-10-6-8-12-21(19)30(27)43-31;1-19-24-18-25-29-27(35(4,5)15-17-37(29)16-14-34(25,2)3)30(24)39-33(38)26(19)32-36-28-22-12-8-6-10-20(22)21-11-7-9-13-23(21)31(28)40-32;1-33(2)13-15-36-16-14-34(3,4)26-28(36)25(33)18-19-17-24(32(37)38-29(19)26)31-35-27-22-11-7-5-9-20(22)21-10-6-8-12-23(21)30(27)39-31/h7-14,19-20H,15-18H2,1-6H3;2*7-14,19H,6,15-18H2,1-5H3;5-12,17H,13-16H2,1-4H3;6-13,18H,14-17H2,1-5H3;5-12,17-18H,13-16H2,1-4H3.
What are the key properties of bis(6-ethyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one);6,10,10,16,16-pentamethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-propan-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one?
bis(6-ethyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one);6,10,10,16,16-pentamethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-propan-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one has a molecular weight of 3364.37 g/mol, XLogP of 54.85, 9 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-ethyl-10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one);6,10,10,16,16-pentamethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-propan-2-yl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-phenanthro[9,10-d][1,3]thiazol-2-yl-6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one is sourced from PubChem (CID 159779283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).