About 2-[[7,10-bis(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-tert-butyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-phenyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
2-[[7,10-bis(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-tert-butyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-phenyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 159171399) has the molecular formula C171H121N5O10S10
and a molecular weight of 2726.54 g/mol. Its IUPAC name is 2-[[7,10-bis(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-tert-butyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-phenyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.
Frequently Asked Questions
What is the IUPAC name of 2-[[7,10-bis(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-tert-butyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-phenyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?
The IUPAC name of 2-[[7,10-bis(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-tert-butyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-phenyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 159171399) is 2-[[7,10-bis(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-tert-butyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-phenyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.
What is the SMILES notation for 2-[[7,10-bis(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-tert-butyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-phenyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?
The canonical SMILES for 2-[[7,10-bis(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-tert-butyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-phenyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is Cc1cc(C)c(-c2cc3c(s2)c2sc(C=C4C(=O)c5cc6ccccc6cc5C4=O)cc2n3-c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(-n2c3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)sc3c3sc(-c4ccccc4)cc32)c(C)c1.Cc1cc(C)c(-n2c3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)sc3c3sc(C(C)(C)C)cc32)c(C)c1.Cc1cc(C)c(-n2c3ccsc3c3sc(C=C4C(=O)c5cc6ccccc6cc5C4=O)cc32)c(C)c1.O=C1C(=Cc2cc3c(s2)c2sccc2n3-c2ccccc2)C(=O)c2cc3ccccc3cc21.
What is the InChIKey of 2-[[7,10-bis(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-tert-butyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-phenyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?
The InChIKey is KLSRTDYQCLPASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31NO2S2.C37H25NO2S2.C35H29NO2S2.C31H21NO2S2.C28H15NO2S2/c1-20-11-22(3)35(23(4)12-20)34-19-33-40(45-34)39-32(41(33)36-24(5)13-21(2)14-25(36)6)18-28(44-39)17-31-37(42)29-15-26-9-7-8-10-27(26)16-30(29)38(31)43;1-20-13-21(2)33(22(3)14-20)38-30-18-26(41-36(30)37-31(38)19-32(42-37)23-9-5-4-6-10-23)17-29-34(39)27-15-24-11-7-8-12-25(24)16-28(27)35(29)40;1-18-11-19(2)30(20(3)12-18)36-27-16-23(39-33(27)34-28(36)17-29(40-34)35(4,5)6)15-26-31(37)24-13-21-9-7-8-10-22(21)14-25(24)32(26)38;1-16-10-17(2)27(18(3)11-16)32-25-8-9-35-30(25)31-26(32)15-21(36-31)14-24-28(33)22-12-19-6-4-5-7-20(19)13-23(22)29(24)34;30-25-20-12-16-6-4-5-7-17(16)13-21(20)26(31)22(25)14-19-15-24-28(33-19)27-23(10-11-32-27)29(24)18-8-2-1-3-9-18/h7-19H,1-6H3;4-19H,1-3H3;7-17H,1-6H3;4-15H,1-3H3;1-15H.
What are the key properties of 2-[[7,10-bis(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-tert-butyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-phenyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?
2-[[7,10-bis(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-tert-butyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-phenyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 2726.54 g/mol, XLogP of 46.87, 12 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7,10-bis(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-tert-butyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[10-phenyl-7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(2,4,6-trimethylphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 159171399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).