(2E)-2-[(E)-3-[1,1-dimethyl-3-(6-methylheptyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1,3,3-trimethylindole;(2E)-2-[(2E,4E)-5-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]penta-2,4-dienylidene]-1,3,3-trimethylindole

C189H233N10+5 — CID 158922794

IUPAC(2E)-2-[(E)-3-[1,1-dimethyl-3-(6-methylheptyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1,3,3-trimethylindole;(2E)-2-[(2E,4E)-5-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]penta-2,4-dienylidene]-1,3,3-trimethylindole
SMILESCC(C)CCC[NH+]1c2ccc3ccccc3c2C(C)(C)C1/C=C/C=C/C=C/C=C1/N(C)c2ccc3ccccc3c2C1(C)C.CC(C)CCC[NH+]1c2ccc3ccccc3c2C(C)(C)C1/C=C/C=C/C=C1/N(C)c2ccc3ccccc3c2C1(C)C.CC(C)CCC[NH+]1c2ccccc2C(C)(C)C1/C=C/C=C/C=C/C=C1/N(C)c2ccccc2C1(C)C.CC(C)CCC[NH+]1c2ccccc2C(C)(C)C1/C=C/C=C/C=C1/N(C)c2ccccc2C1(C)C.CCN1/C(=C/C=C/C2=[N+](CCCCCC(C)C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21
InChIInChI=1S/C42H48N2.C41H49N2.C40H46N2.C34H44N2.C32H42N2/c1-30(2)18-17-29-44-36-28-26-32-20-14-16-22-34(32)40(36)42(5,6)38(44)24-12-10-8-9-11-23-37-41(3,4)39-33-21-15-13-19-31(33)25-27-35(39)43(37)7;1-8-42-34-26-24-30-18-11-13-20-32(30)38(34)40(4,5)36(42)22-16-23-37-41(6,7)39-33-21-14-12-19-31(33)25-27-35(39)43(37)28-15-9-10-17-29(2)3;1-28(2)16-15-27-42-34-26-24-30-18-12-14-20-32(30)38(34)40(5,6)36(42)22-10-8-9-21-35-39(3,4)37-31-19-13-11-17-29(31)23-25-33(37)41(35)7;1-26(2)18-17-25-36-30-22-16-14-20-28(30)34(5,6)32(36)24-12-10-8-9-11-23-31-33(3,4)27-19-13-15-21-29(27)35(31)7;1-24(2)16-15-23-34-28-20-14-12-18-26(28)32(5,6)30(34)22-10-8-9-21-29-31(3,4)25-17-11-13-19-27(25)33(29)7/h8-16,19-28,30,38H,17-18,29H2,1-7H3;11-14,16,18-27,29H,8-10,15,17,28H2,1-7H3;8-14,17-26,28,36H,15-16,27H2,1-7H3;8-16,19-24,26,32H,17-18,25H2,1-7H3;8-14,17-22,24,30H,15-16,23H2,1-7H3/q;+1;;;/p+4/b10-8+,11-9+,24-12+,37-23+;;9-8+,22-10+,35-21+;10-8+,11-9+,24-12+,31-23+;9-8+,22-10+,29-21+
InChIKeyHNVAFRZYAMQLEQ-WTGBWYNTSA-R
MW2645.01 g/mol
LogP43.46
Rot. Bonds39

About (2E)-2-[(E)-3-[1,1-dimethyl-3-(6-methylheptyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1,3,3-trimethylindole;(2E)-2-[(2E,4E)-5-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]penta-2,4-dienylidene]-1,3,3-trimethylindole

(2E)-2-[(E)-3-[1,1-dimethyl-3-(6-methylheptyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1,3,3-trimethylindole;(2E)-2-[(2E,4E)-5-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]penta-2,4-dienylidene]-1,3,3-trimethylindole (PubChem CID 158922794) has the molecular formula C189H233N10+5 and a molecular weight of 2645.01 g/mol. Its IUPAC name is (2E)-2-[(E)-3-[1,1-dimethyl-3-(6-methylheptyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1,3,3-trimethylindole;(2E)-2-[(2E,4E)-5-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]penta-2,4-dienylidene]-1,3,3-trimethylindole.

Molecular Properties

Compound Name(2E)-2-[(E)-3-[1,1-dimethyl-3-(6-methylheptyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1,3,3-trimethylindole;(2E)-2-[(2E,4E)-5-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]penta-2,4-dienylidene]-1,3,3-trimethylindole
PubChem CID158922794
Molecular FormulaC189H233N10+5
Molecular Weight2645.01 g/mol
Exact Mass2642.85
IUPAC Name(2E)-2-[(E)-3-[1,1-dimethyl-3-(6-methylheptyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1,3,3-trimethylindole;(2E)-2-[(2E,4E)-5-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]penta-2,4-dienylidene]-1,3,3-trimethylindole
SMILESCC(C)CCC[NH+]1c2ccc3ccccc3c2C(C)(C)C1/C=C/C=C/C=C/C=C1/N(C)c2ccc3ccccc3c2C1(C)C.CC(C)CCC[NH+]1c2ccc3ccccc3c2C(C)(C)C1/C=C/C=C/C=C1/N(C)c2ccc3ccccc3c2C1(C)C.CC(C)CCC[NH+]1c2ccccc2C(C)(C)C1/C=C/C=C/C=C/C=C1/N(C)c2ccccc2C1(C)C.CC(C)CCC[NH+]1c2ccccc2C(C)(C)C1/C=C/C=C/C=C1/N(C)c2ccccc2C1(C)C.CCN1/C(=C/C=C/C2=[N+](CCCCCC(C)C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21
InChIInChI=1S/C42H48N2.C41H49N2.C40H46N2.C34H44N2.C32H42N2/c1-30(2)18-17-29-44-36-28-26-32-20-14-16-22-34(32)40(36)42(5,6)38(44)24-12-10-8-9-11-23-37-41(3,4)39-33-21-15-13-19-31(33)25-27-35(39)43(37)7;1-8-42-34-26-24-30-18-11-13-20-32(30)38(34)40(4,5)36(42)22-16-23-37-41(6,7)39-33-21-14-12-19-31(33)25-27-35(39)43(37)28-15-9-10-17-29(2)3;1-28(2)16-15-27-42-34-26-24-30-18-12-14-20-32(30)38(34)40(5,6)36(42)22-10-8-9-21-35-39(3,4)37-31-19-13-11-17-29(31)23-25-33(37)41(35)7;1-26(2)18-17-25-36-30-22-16-14-20-28(30)34(5,6)32(36)24-12-10-8-9-11-23-31-33(3,4)27-19-13-15-21-29(27)35(31)7;1-24(2)16-15-23-34-28-20-14-12-18-26(28)32(5,6)30(34)22-10-8-9-21-29-31(3,4)25-17-11-13-19-27(25)33(29)7/h8-16,19-28,30,38H,17-18,29H2,1-7H3;11-14,16,18-27,29H,8-10,15,17,28H2,1-7H3;8-14,17-26,28,36H,15-16,27H2,1-7H3;8-16,19-24,26,32H,17-18,25H2,1-7H3;8-14,17-22,24,30H,15-16,23H2,1-7H3/q;+1;;;/p+4/b10-8+,11-9+,24-12+,37-23+;;9-8+,22-10+,35-21+;10-8+,11-9+,24-12+,31-23+;9-8+,22-10+,29-21+
InChIKeyHNVAFRZYAMQLEQ-WTGBWYNTSA-R
XLogP43.46
TPSA36.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds39
Heavy Atoms199
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002645.01
LogP ≤ 543.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (2E)-2-[(E)-3-[1,1-dimethyl-3-(6-methylheptyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1,3,3-trimethylindole;(2E)-2-[(2E,4E)-5-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]penta-2,4-dienylidene]-1,3,3-trimethylindole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-3-[1,1-dimethyl-3-(6-methylheptyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1,3,3-trimethylindole;(2E)-2-[(2E,4E)-5-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]penta-2,4-dienylidene]-1,3,3-trimethylindole?
The IUPAC name of (2E)-2-[(E)-3-[1,1-dimethyl-3-(6-methylheptyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1,3,3-trimethylindole;(2E)-2-[(2E,4E)-5-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]penta-2,4-dienylidene]-1,3,3-trimethylindole (CID 158922794) is (2E)-2-[(E)-3-[1,1-dimethyl-3-(6-methylheptyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1,3,3-trimethylindole;(2E)-2-[(2E,4E)-5-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]penta-2,4-dienylidene]-1,3,3-trimethylindole.
What is the SMILES notation for (2E)-2-[(E)-3-[1,1-dimethyl-3-(6-methylheptyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1,3,3-trimethylindole;(2E)-2-[(2E,4E)-5-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]penta-2,4-dienylidene]-1,3,3-trimethylindole?
The canonical SMILES for (2E)-2-[(E)-3-[1,1-dimethyl-3-(6-methylheptyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1,3,3-trimethylindole;(2E)-2-[(2E,4E)-5-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]penta-2,4-dienylidene]-1,3,3-trimethylindole is CC(C)CCC[NH+]1c2ccc3ccccc3c2C(C)(C)C1/C=C/C=C/C=C/C=C1/N(C)c2ccc3ccccc3c2C1(C)C.CC(C)CCC[NH+]1c2ccc3ccccc3c2C(C)(C)C1/C=C/C=C/C=C1/N(C)c2ccc3ccccc3c2C1(C)C.CC(C)CCC[NH+]1c2ccccc2C(C)(C)C1/C=C/C=C/C=C/C=C1/N(C)c2ccccc2C1(C)C.CC(C)CCC[NH+]1c2ccccc2C(C)(C)C1/C=C/C=C/C=C1/N(C)c2ccccc2C1(C)C.CCN1/C(=C/C=C/C2=[N+](CCCCCC(C)C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21.
What is the InChIKey of (2E)-2-[(E)-3-[1,1-dimethyl-3-(6-methylheptyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1,3,3-trimethylindole;(2E)-2-[(2E,4E)-5-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]penta-2,4-dienylidene]-1,3,3-trimethylindole?
The InChIKey is HNVAFRZYAMQLEQ-WTGBWYNTSA-R. The full InChI is InChI=1S/C42H48N2.C41H49N2.C40H46N2.C34H44N2.C32H42N2/c1-30(2)18-17-29-44-36-28-26-32-20-14-16-22-34(32)40(36)42(5,6)38(44)24-12-10-8-9-11-23-37-41(3,4)39-33-21-15-13-19-31(33)25-27-35(39)43(37)7;1-8-42-34-26-24-30-18-11-13-20-32(30)38(34)40(4,5)36(42)22-16-23-37-41(6,7)39-33-21-14-12-19-31(33)25-27-35(39)43(37)28-15-9-10-17-29(2)3;1-28(2)16-15-27-42-34-26-24-30-18-12-14-20-32(30)38(34)40(5,6)36(42)22-10-8-9-21-35-39(3,4)37-31-19-13-11-17-29(31)23-25-33(37)41(35)7;1-26(2)18-17-25-36-30-22-16-14-20-28(30)34(5,6)32(36)24-12-10-8-9-11-23-31-33(3,4)27-19-13-15-21-29(27)35(31)7;1-24(2)16-15-23-34-28-20-14-12-18-26(28)32(5,6)30(34)22-10-8-9-21-29-31(3,4)25-17-11-13-19-27(25)33(29)7/h8-16,19-28,30,38H,17-18,29H2,1-7H3;11-14,16,18-27,29H,8-10,15,17,28H2,1-7H3;8-14,17-26,28,36H,15-16,27H2,1-7H3;8-16,19-24,26,32H,17-18,25H2,1-7H3;8-14,17-22,24,30H,15-16,23H2,1-7H3/q;+1;;;/p+4/b10-8+,11-9+,24-12+,37-23+;;9-8+,22-10+,35-21+;10-8+,11-9+,24-12+,31-23+;9-8+,22-10+,29-21+.
What are the key properties of (2E)-2-[(E)-3-[1,1-dimethyl-3-(6-methylheptyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1,3,3-trimethylindole;(2E)-2-[(2E,4E)-5-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]penta-2,4-dienylidene]-1,3,3-trimethylindole?
(2E)-2-[(E)-3-[1,1-dimethyl-3-(6-methylheptyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1,3,3-trimethylindole;(2E)-2-[(2E,4E)-5-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]penta-2,4-dienylidene]-1,3,3-trimethylindole has a molecular weight of 2645.01 g/mol, XLogP of 43.46, 39 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-3-[1,1-dimethyl-3-(6-methylheptyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(4-methylpentyl)-2,3-dihydrobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1,3-trimethylbenzo[e]indole;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1,3,3-trimethylindole;(2E)-2-[(2E,4E)-5-[3,3-dimethyl-1-(4-methylpentyl)-1,2-dihydroindol-1-ium-2-yl]penta-2,4-dienylidene]-1,3,3-trimethylindole is sourced from PubChem (CID 158922794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).