About (2E)-1-benzyl-2-[(2E,4E)-5-[1,3-dimethyl-1-(naphthalen-2-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-dimethylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;(2E)-1,3-dimethyl-2-[(2E,4E)-5-[1-methyl-3-(3-methylbutyl)-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-prop-2-enylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium;2-[(1E,3E,5E)-5-[1,3-dimethyl-1-[(2-methylphenyl)methyl]benzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,3-dimethyl-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium
(2E)-1-benzyl-2-[(2E,4E)-5-[1,3-dimethyl-1-(naphthalen-2-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-dimethylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;(2E)-1,3-dimethyl-2-[(2E,4E)-5-[1-methyl-3-(3-methylbutyl)-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-prop-2-enylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium;2-[(1E,3E,5E)-5-[1,3-dimethyl-1-[(2-methylphenyl)methyl]benzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,3-dimethyl-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium (PubChem CID 159035496) has the molecular formula C250H245N10+5
and a molecular weight of 3389.78 g/mol. Its IUPAC name is (2E)-1-benzyl-2-[(2E,4E)-5-[1,3-dimethyl-1-(naphthalen-2-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-dimethylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;(2E)-1,3-dimethyl-2-[(2E,4E)-5-[1-methyl-3-(3-methylbutyl)-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-prop-2-enylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium;2-[(1E,3E,5E)-5-[1,3-dimethyl-1-[(2-methylphenyl)methyl]benzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,3-dimethyl-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium.
Frequently Asked Questions
What is the IUPAC name of (2E)-1-benzyl-2-[(2E,4E)-5-[1,3-dimethyl-1-(naphthalen-2-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-dimethylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;(2E)-1,3-dimethyl-2-[(2E,4E)-5-[1-methyl-3-(3-methylbutyl)-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-prop-2-enylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium;2-[(1E,3E,5E)-5-[1,3-dimethyl-1-[(2-methylphenyl)methyl]benzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,3-dimethyl-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium?
The IUPAC name of (2E)-1-benzyl-2-[(2E,4E)-5-[1,3-dimethyl-1-(naphthalen-2-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-dimethylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;(2E)-1,3-dimethyl-2-[(2E,4E)-5-[1-methyl-3-(3-methylbutyl)-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-prop-2-enylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium;2-[(1E,3E,5E)-5-[1,3-dimethyl-1-[(2-methylphenyl)methyl]benzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,3-dimethyl-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium (CID 159035496) is (2E)-1-benzyl-2-[(2E,4E)-5-[1,3-dimethyl-1-(naphthalen-2-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-dimethylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;(2E)-1,3-dimethyl-2-[(2E,4E)-5-[1-methyl-3-(3-methylbutyl)-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-prop-2-enylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium;2-[(1E,3E,5E)-5-[1,3-dimethyl-1-[(2-methylphenyl)methyl]benzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,3-dimethyl-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium.
What is the SMILES notation for (2E)-1-benzyl-2-[(2E,4E)-5-[1,3-dimethyl-1-(naphthalen-2-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-dimethylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;(2E)-1,3-dimethyl-2-[(2E,4E)-5-[1-methyl-3-(3-methylbutyl)-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-prop-2-enylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium;2-[(1E,3E,5E)-5-[1,3-dimethyl-1-[(2-methylphenyl)methyl]benzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,3-dimethyl-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium?
The canonical SMILES for (2E)-1-benzyl-2-[(2E,4E)-5-[1,3-dimethyl-1-(naphthalen-2-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-dimethylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;(2E)-1,3-dimethyl-2-[(2E,4E)-5-[1-methyl-3-(3-methylbutyl)-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-prop-2-enylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium;2-[(1E,3E,5E)-5-[1,3-dimethyl-1-[(2-methylphenyl)methyl]benzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,3-dimethyl-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium is C=CCC1(C)/C(=C\C=C\C=C\C2=[N+](CCC(C)C)c3ccc4ccccc4c3C2(C)Cc2cccc3ccccc23)N(C)c2ccc3ccccc3c21.C=CCC1(C)C(=CC=CC=CC2=[N+](C)c3ccc4ccccc4c3C2(C)Cc2ccccc2C)N(CCC(C)C)c2ccc3ccccc3c21.C=CCC1(C)C(=CC=CC=CC2=[N+](CCC(C)C)c3ccc4ccccc4c3C2(C)Cc2ccccc2C)N(C)c2ccc3ccccc3c21.CN1/C(=C/C=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)Cc2ccc3ccccc3c2)C(C)(Cc2ccccc2)c2c1ccc1ccccc21.Cc1ccccc1CC1(C)/C(=C\C=C\C=C\C2=[N+](C)c3ccc4ccccc4c3C2(C)Cc2cccc3ccccc23)N(C)c2ccc3ccccc3c21.
What is the InChIKey of (2E)-1-benzyl-2-[(2E,4E)-5-[1,3-dimethyl-1-(naphthalen-2-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-dimethylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;(2E)-1,3-dimethyl-2-[(2E,4E)-5-[1-methyl-3-(3-methylbutyl)-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-prop-2-enylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium;2-[(1E,3E,5E)-5-[1,3-dimethyl-1-[(2-methylphenyl)methyl]benzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,3-dimethyl-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium?
The InChIKey is DZPRSRVNTSAZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H47N2.C51H45N2.C51H51N2.2C48H51N2/c1-36-18-9-10-22-40(36)34-51(2)47(53(4)45-32-30-38-20-12-15-26-43(38)49(45)51)28-7-6-8-29-48-52(3,35-41-24-17-23-37-19-11-14-25-42(37)41)50-44-27-16-13-21-39(44)31-33-46(50)54(48)5;1-50(34-36-17-7-5-8-18-36)46(52(3)44-31-29-39-20-13-15-23-42(39)48(44)50)25-9-6-10-26-47-51(2,35-37-27-28-38-19-11-12-22-41(38)33-37)49-43-24-16-14-21-40(43)30-32-45(49)53(47)4;1-7-33-50(4)46(52(6)44-30-28-38-19-12-15-24-42(38)48(44)50)26-9-8-10-27-47-51(5,35-40-22-17-21-37-18-11-14-23-41(37)40)49-43-25-16-13-20-39(43)29-31-45(49)53(47)34-32-36(2)3;1-8-31-47(5)44(50(32-30-34(2)3)42-29-27-37-20-15-17-23-40(37)46(42)47)25-11-9-10-24-43-48(6,33-38-21-13-12-18-35(38)4)45-39-22-16-14-19-36(39)26-28-41(45)49(43)7;1-8-31-47(5)43(49(7)41-28-26-36-19-14-16-22-39(36)45(41)47)24-10-9-11-25-44-48(6,33-38-21-13-12-18-35(38)4)46-40-23-17-15-20-37(40)27-29-42(46)50(44)32-30-34(2)3/h6-33H,34-35H2,1-5H3;5-33H,34-35H2,1-4H3;7-31,36H,1,32-35H2,2-6H3;2*8-29,34H,1,30-33H2,2-7H3/q5*+1.
What are the key properties of (2E)-1-benzyl-2-[(2E,4E)-5-[1,3-dimethyl-1-(naphthalen-2-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-dimethylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;(2E)-1,3-dimethyl-2-[(2E,4E)-5-[1-methyl-3-(3-methylbutyl)-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-prop-2-enylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium;2-[(1E,3E,5E)-5-[1,3-dimethyl-1-[(2-methylphenyl)methyl]benzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,3-dimethyl-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium?
(2E)-1-benzyl-2-[(2E,4E)-5-[1,3-dimethyl-1-(naphthalen-2-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-dimethylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;(2E)-1,3-dimethyl-2-[(2E,4E)-5-[1-methyl-3-(3-methylbutyl)-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-prop-2-enylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium;2-[(1E,3E,5E)-5-[1,3-dimethyl-1-[(2-methylphenyl)methyl]benzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,3-dimethyl-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium has a molecular weight of 3389.78 g/mol, XLogP of 60.98, 44 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-benzyl-2-[(2E,4E)-5-[1,3-dimethyl-1-(naphthalen-2-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-dimethylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;(2E)-1,3-dimethyl-2-[(2E,4E)-5-[1-methyl-3-(3-methylbutyl)-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-prop-2-enylbenzo[e]indole;1,3-dimethyl-2-[5-[1-methyl-3-(3-methylbutyl)-1-prop-2-enylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-1-[(2-methylphenyl)methyl]benzo[e]indol-3-ium;2-[(1E,3E,5E)-5-[1,3-dimethyl-1-[(2-methylphenyl)methyl]benzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,3-dimethyl-1-(naphthalen-1-ylmethyl)benzo[e]indol-3-ium is sourced from PubChem (CID 159035496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).