About 3-butyl-2-[7-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indole;N-[2-[2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-5-[2-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethyl-2,3-dihydrobenzo[e]indol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;trifluoroborane;1,1,3-trimethyl-2-[7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole;fluoride;iodide;triperchlorate
3-butyl-2-[7-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indole;N-[2-[2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-5-[2-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethyl-2,3-dihydrobenzo[e]indol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;trifluoroborane;1,1,3-trimethyl-2-[7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole;fluoride;iodide;triperchlorate (PubChem CID 162181085) has the molecular formula C220H234BCl5F4IN11O12
and a molecular weight of 3615.33 g/mol. Its IUPAC name is 3-butyl-2-[7-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indole;N-[2-[2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-5-[2-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethyl-2,3-dihydrobenzo[e]indol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;trifluoroborane;1,1,3-trimethyl-2-[7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole;fluoride;iodide;triperchlorate.
Frequently Asked Questions
What is the IUPAC name of 3-butyl-2-[7-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indole;N-[2-[2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-5-[2-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethyl-2,3-dihydrobenzo[e]indol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;trifluoroborane;1,1,3-trimethyl-2-[7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole;fluoride;iodide;triperchlorate?
The IUPAC name of 3-butyl-2-[7-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indole;N-[2-[2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-5-[2-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethyl-2,3-dihydrobenzo[e]indol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;trifluoroborane;1,1,3-trimethyl-2-[7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole;fluoride;iodide;triperchlorate (CID 162181085) is 3-butyl-2-[7-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indole;N-[2-[2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-5-[2-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethyl-2,3-dihydrobenzo[e]indol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;trifluoroborane;1,1,3-trimethyl-2-[7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole;fluoride;iodide;triperchlorate.
What is the SMILES notation for 3-butyl-2-[7-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indole;N-[2-[2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-5-[2-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethyl-2,3-dihydrobenzo[e]indol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;trifluoroborane;1,1,3-trimethyl-2-[7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole;fluoride;iodide;triperchlorate?
The canonical SMILES for 3-butyl-2-[7-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indole;N-[2-[2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-5-[2-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethyl-2,3-dihydrobenzo[e]indol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;trifluoroborane;1,1,3-trimethyl-2-[7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole;fluoride;iodide;triperchlorate is CCCCN1C(=CC=C2CCC(C=CC3=[N+](CCCC)c4ccc5ccccc5c4C3(C)C)=C2N(c2ccccc2)c2ccccc2)C(C)(C)c2c1ccc1ccccc21.CCCCN1C(=CC=CC=CC=CC2=[N+](CCCC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21.CCN1C(=CC=C2CCC(C=CC3[NH+](CC)c4ccc5ccccc5c4C3(C)C)=C2Cl)C(C)(C)c2c1ccc1ccccc21.CCN1C(=CC=C2CCCC(C=CC3=[N+](CC)c4ccc5ccccc5c4C3(C)C)=C2Cl)C(C)(C)c2c1ccc1ccccc21.CN1C(=CC=CC=CC=CC2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21.FB(F)F.[F-].[I-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 3-butyl-2-[7-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indole;N-[2-[2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-5-[2-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethyl-2,3-dihydrobenzo[e]indol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;trifluoroborane;1,1,3-trimethyl-2-[7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole;fluoride;iodide;triperchlorate?
The InChIKey is OKFBARVJEBMTHE-UHFFFAOYSA-J. The full InChI is InChI=1S/C57H60N3.C43H49N2.C42H44ClN2.C41H43ClN2.C37H37N2.BF3.3ClHO4.FH.HI/c1-7-9-39-58-49-35-31-41-21-17-19-27-47(41)53(49)56(3,4)51(58)37-33-43-29-30-44(55(43)60(45-23-13-11-14-24-45)46-25-15-12-16-26-46)34-38-52-57(5,6)54-48-28-20-18-22-42(48)32-36-50(54)59(52)40-10-8-2;1-7-9-30-44-36-28-26-32-20-16-18-22-34(32)40(36)42(3,4)38(44)24-14-12-11-13-15-25-39-43(5,6)41-35-23-19-17-21-33(35)27-29-37(41)45(39)31-10-8-2;1-7-44-34-24-20-28-14-9-11-18-32(28)38(34)41(3,4)36(44)26-22-30-16-13-17-31(40(30)43)23-27-37-42(5,6)39-33-19-12-10-15-29(33)21-25-35(39)45(37)8-2;1-7-43-33-23-19-27-13-9-11-15-31(27)37(33)40(3,4)35(43)25-21-29-17-18-30(39(29)42)22-26-36-41(5,6)38-32-16-12-10-14-28(32)20-24-34(38)44(36)8-2;1-36(2)32(38(5)30-24-22-26-16-12-14-18-28(26)34(30)36)20-10-8-7-9-11-21-33-37(3,4)35-29-19-15-13-17-27(29)23-25-31(35)39(33)6;2-1(3)4;3*2-1(3,4)5;;/h11-28,31-38H,7-10,29-30,39-40H2,1-6H3;11-29H,7-10,30-31H2,1-6H3;9-12,14-15,18-27H,7-8,13,16-17H2,1-6H3;9-16,19-26,35H,7-8,17-18H2,1-6H3;7-25H,1-6H3;;3*(H,2,3,4,5);2*1H/q3*+1;;+1;;;;;;/p-4.
What are the key properties of 3-butyl-2-[7-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indole;N-[2-[2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-5-[2-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethyl-2,3-dihydrobenzo[e]indol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;trifluoroborane;1,1,3-trimethyl-2-[7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole;fluoride;iodide;triperchlorate?
3-butyl-2-[7-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indole;N-[2-[2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-5-[2-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethyl-2,3-dihydrobenzo[e]indol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;trifluoroborane;1,1,3-trimethyl-2-[7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole;fluoride;iodide;triperchlorate has a molecular weight of 3615.33 g/mol, XLogP of 36.85, 36 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-[7-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indole;N-[2-[2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-5-[2-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3-ethyl-1,1-dimethyl-2,3-dihydrobenzo[e]indol-3-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;trifluoroborane;1,1,3-trimethyl-2-[7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole;fluoride;iodide;triperchlorate is sourced from PubChem (CID 162181085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).