Bis(2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate);2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-tert-butylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)xanthen-9-yl]-4-methylbenzoate;tetrakis(carbon dioxide);4-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-2-[3-(3,3-difluoroazetidin-1-yl)-6-(3-fluoro-3-methylazetidin-1-ium-1-ylidene)xanthen-9-yl]benzoate;2-[3-(3,3-difluoroazetidin-1-ium-1-ylidene)-6-(3,3-difluoroazetidin-1-yl)xanthen-9-yl]benzoate;2-[7-(3-fluoroazetidin-1-yl)-5,5-dimethyl-3-(3-methylazetidin-1-ium-1-ylidene)benzo[b][1]benzosilin-10-yl]benzoate;methane

C₂₄₉H₂₄₈ClF₈N₁₇O₃₄Si₅ — CID 158524108

About Bis(2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate);2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-tert-butylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)xanthen-9-yl]-4-methylbenzoate;tetrakis(carbon dioxide);4-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-2-[3-(3,3-difluoroazetidin-1-yl)-6-(3-fluoro-3-methylazetidin-1-ium-1-ylidene)xanthen-9-yl]benzoate;2-[3-(3,3-difluoroazetidin-1-ium-1-ylidene)-6-(3,3-difluoroazetidin-1-yl)xanthen-9-yl]benzoate;2-[7-(3-fluoroazetidin-1-yl)-5,5-dimethyl-3-(3-methylazetidin-1-ium-1-ylidene)benzo[b][1]benzosilin-10-yl]benzoate;methane

Bis(2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate);2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-tert-butylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)xanthen-9-yl]-4-methylbenzoate;tetrakis(carbon dioxide);4-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-2-[3-(3,3-difluoroazetidin-1-yl)-6-(3-fluoro-3-methylazetidin-1-ium-1-ylidene)xanthen-9-yl]benzoate;2-[3-(3,3-difluoroazetidin-1-ium-1-ylidene)-6-(3,3-difluoroazetidin-1-yl)xanthen-9-yl]benzoate;2-[7-(3-fluoroazetidin-1-yl)-5,5-dimethyl-3-(3-methylazetidin-1-ium-1-ylidene)benzo[b][1]benzosilin-10-yl]benzoate;methane (PubChem CID 158524108) has the molecular formula C₂₄₉H₂₄₈ClF₈N₁₇O₃₄Si₅ and a molecular weight of 4350.67 g/mol. Its IUPAC name is bis(2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate);2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-tert-butylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)xanthen-9-yl]-4-methylbenzoate;tetrakis(carbon dioxide);4-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-2-[3-(3,3-difluoroazetidin-1-yl)-6-(3-fluoro-3-methylazetidin-1-ium-1-ylidene)xanthen-9-yl]benzoate;2-[3-(3,3-difluoroazetidin-1-ium-1-ylidene)-6-(3,3-difluoroazetidin-1-yl)xanthen-9-yl]benzoate;2-[7-(3-fluoroazetidin-1-yl)-5,5-dimethyl-3-(3-methylazetidin-1-ium-1-ylidene)benzo[b][1]benzosilin-10-yl]benzoate;methane.

Molecular Properties

• Compound Name: Bis(2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate);2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-tert-butylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)xanthen-9-yl]-4-methylbenzoate;tetrakis(carbon dioxide);4-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-2-[3-(3,3-difluoroazetidin-1-yl)-6-(3-fluoro-3-methylazetidin-1-ium-1-ylidene)xanthen-9-yl]benzoate;2-[3-(3,3-difluoroazetidin-1-ium-1-ylidene)-6-(3,3-difluoroazetidin-1-yl)xanthen-9-yl]benzoate;2-[7-(3-fluoroazetidin-1-yl)-5,5-dimethyl-3-(3-methylazetidin-1-ium-1-ylidene)benzo[b][1]benzosilin-10-yl]benzoate;methane
• PubChem CID: 158524108
• Molecular Formula: C₂₄₉H₂₄₈ClF₈N₁₇O₃₄Si₅
• Molecular Weight: 4350.67 g/mol
• Exact Mass: 4346.66
• IUPAC Name: bis(2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate);2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-tert-butylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)xanthen-9-yl]-4-methylbenzoate;tetrakis(carbon dioxide);4-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-2-[3-(3,3-difluoroazetidin-1-yl)-6-(3-fluoro-3-methylazetidin-1-ium-1-ylidene)xanthen-9-yl]benzoate;2-[3-(3,3-difluoroazetidin-1-ium-1-ylidene)-6-(3,3-difluoroazetidin-1-yl)xanthen-9-yl]benzoate;2-[7-(3-fluoroazetidin-1-yl)-5,5-dimethyl-3-(3-methylazetidin-1-ium-1-ylidene)benzo[b][1]benzosilin-10-yl]benzoate;methane
• SMILES: C.C.C.CC(C)(C)c1ccc(C(=O)[O-])c(C2=C3C=CC(=[N+]4CCC4)C=C3[Si](C)(C)c3cc(N4CCC4)ccc32)c1.CC1(F)C[N+](=c2ccc3c(-c4cc(C(=O)CCCOCCOCCCCCCCl)ccc4C(=O)[O-])c4ccc(N5CC(F)(F)C5)cc4oc-3c2)C1.CC1C[N+](=C2C=CC3=C(c4ccccc4C(=O)[O-])c4ccc(N5CC(F)C5)cc4[Si](C)(C)C3=C2)C1.C[Si]1(C)C2=CC(=[N+]3CCC3)C=CC2=C(c2cc(C(=O)ON3C(=O)CCC3=O)ccc2C(=O)[O-])c2ccc(N3CCC3)cc21.C[Si]1(C)C2=CC(=[N+]3CCC3)C=CC2=C(c2ccccc2C(=O)[O-])c2ccc(N3CCC3)cc21.C[Si]1(C)C2=CC(=[N+]3CCC3)C=CC2=C(c2ccccc2C(=O)[O-])c2ccc(N3CCC3)cc21.Cc1ccc(C(=O)[O-])c(-c2c3ccc(=[N+]4CCC4)cc-3oc3cc(N4CCC4)ccc23)c1.O=C([O-])c1ccccc1-c1c2ccc(=[N+]3CC(F)(F)C3)cc-2oc2cc(N3CC(F)(F)C3)ccc12.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C39H42ClF3N2O6.C33H31N3O6Si.C32H36N2O2Si.C29H29FN2O2Si.2C28H28N2O2Si.C27H24N2O3.C26H18F4N2O3.4CO2.3CH4/c1-38(41)22-44(23-38)27-9-12-30-34(20-27)51-35-21-28(45-24-39(42,43)25-45)10-13-31(35)36(30)32-19-26(8-11-29(32)37(47)48)33(46)7-6-16-50-18-17-49-15-5-3-2-4-14-40;1-43(2)27-18-21(34-13-3-14-34)6-9-24(27)31(25-10-7-22(19-28(25)43)35-15-4-16-35)26-17-20(5-8-23(26)32(39)40)33(41)42-36-29(37)11-12-30(36)38;1-32(2,3)21-8-11-24(31(35)36)27(18-21)30-25-12-9-22(33-14-6-15-33)19-28(25)37(4,5)29-20-23(10-13-26(29)30)34-16-7-17-34;1-18-14-31(15-18)20-8-10-24-26(12-20)35(2,3)27-13-21(32-16-19(30)17-32)9-11-25(27)28(24)22-6-4-5-7-23(22)29(33)34;2*1-33(2)25-17-19(29-13-5-14-29)9-11-23(25)27(21-7-3-4-8-22(21)28(31)32)24-12-10-20(18-26(24)33)30-15-6-16-30;1-17-4-7-20(27(30)31)23(14-17)26-21-8-5-18(28-10-2-11-28)15-24(21)32-25-16-19(6-9-22(25)26)29-12-3-13-29;27-25(28)11-31(12-25)15-5-7-19-21(9-15)35-22-10-16(32-13-26(29,30)14-32)6-8-20(22)23(19)17-3-1-2-4-18(17)24(33)34;4*2-1-3;;;/h8-13,19-21H,2-7,14-18,22-25H2,1H3;5-10,17-19H,3-4,11-16H2,1-2H3;8-13,18-20H,6-7,14-17H2,1-5H3;4-13,18-19H,14-17H2,1-3H3;2*3-4,7-12,17-18H,5-6,13-16H2,1-2H3;4-9,14-16H,2-3,10-13H2,1H3;1-10H,11-14H2;;;;;3*1H4
• InChIKey: HMOQNIILOOTPDF-UHFFFAOYSA-N
• XLogP: 27.74
• TPSA: 646.23 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 40
• Heavy Atoms: 314
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4350.67
LogP ≤ 5	27.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of Bis(2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate);2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-tert-butylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)xanthen-9-yl]-4-methylbenzoate;tetrakis(carbon dioxide);4-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-2-[3-(3,3-difluoroazetidin-1-yl)-6-(3-fluoro-3-methylazetidin-1-ium-1-ylidene)xanthen-9-yl]benzoate;2-[3-(3,3-difluoroazetidin-1-ium-1-ylidene)-6-(3,3-difluoroazetidin-1-yl)xanthen-9-yl]benzoate;2-[7-(3-fluoroazetidin-1-yl)-5,5-dimethyl-3-(3-methylazetidin-1-ium-1-ylidene)benzo[b][1]benzosilin-10-yl]benzoate;methane?

The IUPAC name of Bis(2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate);2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-tert-butylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)xanthen-9-yl]-4-methylbenzoate;tetrakis(carbon dioxide);4-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-2-[3-(3,3-difluoroazetidin-1-yl)-6-(3-fluoro-3-methylazetidin-1-ium-1-ylidene)xanthen-9-yl]benzoate;2-[3-(3,3-difluoroazetidin-1-ium-1-ylidene)-6-(3,3-difluoroazetidin-1-yl)xanthen-9-yl]benzoate;2-[7-(3-fluoroazetidin-1-yl)-5,5-dimethyl-3-(3-methylazetidin-1-ium-1-ylidene)benzo[b][1]benzosilin-10-yl]benzoate;methane (CID 158524108) is bis(2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate);2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-tert-butylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)xanthen-9-yl]-4-methylbenzoate;tetrakis(carbon dioxide);4-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-2-[3-(3,3-difluoroazetidin-1-yl)-6-(3-fluoro-3-methylazetidin-1-ium-1-ylidene)xanthen-9-yl]benzoate;2-[3-(3,3-difluoroazetidin-1-ium-1-ylidene)-6-(3,3-difluoroazetidin-1-yl)xanthen-9-yl]benzoate;2-[7-(3-fluoroazetidin-1-yl)-5,5-dimethyl-3-(3-methylazetidin-1-ium-1-ylidene)benzo[b][1]benzosilin-10-yl]benzoate;methane.

What is the SMILES notation for Bis(2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate);2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-tert-butylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)xanthen-9-yl]-4-methylbenzoate;tetrakis(carbon dioxide);4-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-2-[3-(3,3-difluoroazetidin-1-yl)-6-(3-fluoro-3-methylazetidin-1-ium-1-ylidene)xanthen-9-yl]benzoate;2-[3-(3,3-difluoroazetidin-1-ium-1-ylidene)-6-(3,3-difluoroazetidin-1-yl)xanthen-9-yl]benzoate;2-[7-(3-fluoroazetidin-1-yl)-5,5-dimethyl-3-(3-methylazetidin-1-ium-1-ylidene)benzo[b][1]benzosilin-10-yl]benzoate;methane?

The canonical SMILES for Bis(2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate);2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-tert-butylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)xanthen-9-yl]-4-methylbenzoate;tetrakis(carbon dioxide);4-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-2-[3-(3,3-difluoroazetidin-1-yl)-6-(3-fluoro-3-methylazetidin-1-ium-1-ylidene)xanthen-9-yl]benzoate;2-[3-(3,3-difluoroazetidin-1-ium-1-ylidene)-6-(3,3-difluoroazetidin-1-yl)xanthen-9-yl]benzoate;2-[7-(3-fluoroazetidin-1-yl)-5,5-dimethyl-3-(3-methylazetidin-1-ium-1-ylidene)benzo[b][1]benzosilin-10-yl]benzoate;methane is C.C.C.CC(C)(C)c1ccc(C(=O)[O-])c(C2=C3C=CC(=[N+]4CCC4)C=C3[Si](C)(C)c3cc(N4CCC4)ccc32)c1.CC1(F)C[N+](=c2ccc3c(-c4cc(C(=O)CCCOCCOCCCCCCCl)ccc4C(=O)[O-])c4ccc(N5CC(F)(F)C5)cc4oc-3c2)C1.CC1C[N+](=C2C=CC3=C(c4ccccc4C(=O)[O-])c4ccc(N5CC(F)C5)cc4[Si](C)(C)C3=C2)C1.C[Si]1(C)C2=CC(=[N+]3CCC3)C=CC2=C(c2cc(C(=O)ON3C(=O)CCC3=O)ccc2C(=O)[O-])c2ccc(N3CCC3)cc21.C[Si]1(C)C2=CC(=[N+]3CCC3)C=CC2=C(c2ccccc2C(=O)[O-])c2ccc(N3CCC3)cc21.C[Si]1(C)C2=CC(=[N+]3CCC3)C=CC2=C(c2ccccc2C(=O)[O-])c2ccc(N3CCC3)cc21.Cc1ccc(C(=O)[O-])c(-c2c3ccc(=[N+]4CCC4)cc-3oc3cc(N4CCC4)ccc23)c1.O=C([O-])c1ccccc1-c1c2ccc(=[N+]3CC(F)(F)C3)cc-2oc2cc(N3CC(F)(F)C3)ccc12.O=C=O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of Bis(2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate);2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-tert-butylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)xanthen-9-yl]-4-methylbenzoate;tetrakis(carbon dioxide);4-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-2-[3-(3,3-difluoroazetidin-1-yl)-6-(3-fluoro-3-methylazetidin-1-ium-1-ylidene)xanthen-9-yl]benzoate;2-[3-(3,3-difluoroazetidin-1-ium-1-ylidene)-6-(3,3-difluoroazetidin-1-yl)xanthen-9-yl]benzoate;2-[7-(3-fluoroazetidin-1-yl)-5,5-dimethyl-3-(3-methylazetidin-1-ium-1-ylidene)benzo[b][1]benzosilin-10-yl]benzoate;methane?

The InChIKey is HMOQNIILOOTPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42ClF3N2O6.C33H31N3O6Si.C32H36N2O2Si.C29H29FN2O2Si.2C28H28N2O2Si.C27H24N2O3.C26H18F4N2O3.4CO2.3CH4/c1-38(41)22-44(23-38)27-9-12-30-34(20-27)51-35-21-28(45-24-39(42,43)25-45)10-13-31(35)36(30)32-19-26(8-11-29(32)37(47)48)33(46)7-6-16-50-18-17-49-15-5-3-2-4-14-40;1-43(2)27-18-21(34-13-3-14-34)6-9-24(27)31(25-10-7-22(19-28(25)43)35-15-4-16-35)26-17-20(5-8-23(26)32(39)40)33(41)42-36-29(37)11-12-30(36)38;1-32(2,3)21-8-11-24(31(35)36)27(18-21)30-25-12-9-22(33-14-6-15-33)19-28(25)37(4,5)29-20-23(10-13-26(29)30)34-16-7-17-34;1-18-14-31(15-18)20-8-10-24-26(12-20)35(2,3)27-13-21(32-16-19(30)17-32)9-11-25(27)28(24)22-6-4-5-7-23(22)29(33)34;2*1-33(2)25-17-19(29-13-5-14-29)9-11-23(25)27(21-7-3-4-8-22(21)28(31)32)24-12-10-20(18-26(24)33)30-15-6-16-30;1-17-4-7-20(27(30)31)23(14-17)26-21-8-5-18(28-10-2-11-28)15-24(21)32-25-16-19(6-9-22(25)26)29-12-3-13-29;27-25(28)11-31(12-25)15-5-7-19-21(9-15)35-22-10-16(32-13-26(29,30)14-32)6-8-20(22)23(19)17-3-1-2-4-18(17)24(33)34;4*2-1-3;;;/h8-13,19-21H,2-7,14-18,22-25H2,1H3;5-10,17-19H,3-4,11-16H2,1-2H3;8-13,18-20H,6-7,14-17H2,1-5H3;4-13,18-19H,14-17H2,1-3H3;2*3-4,7-12,17-18H,5-6,13-16H2,1-2H3;4-9,14-16H,2-3,10-13H2,1H3;1-10H,11-14H2;;;;;3*1H4.

What are the key properties of Bis(2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate);2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-tert-butylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)xanthen-9-yl]-4-methylbenzoate;tetrakis(carbon dioxide);4-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-2-[3-(3,3-difluoroazetidin-1-yl)-6-(3-fluoro-3-methylazetidin-1-ium-1-ylidene)xanthen-9-yl]benzoate;2-[3-(3,3-difluoroazetidin-1-ium-1-ylidene)-6-(3,3-difluoroazetidin-1-yl)xanthen-9-yl]benzoate;2-[7-(3-fluoroazetidin-1-yl)-5,5-dimethyl-3-(3-methylazetidin-1-ium-1-ylidene)benzo[b][1]benzosilin-10-yl]benzoate;methane?

Bis(2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate);2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-tert-butylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)xanthen-9-yl]-4-methylbenzoate;tetrakis(carbon dioxide);4-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-2-[3-(3,3-difluoroazetidin-1-yl)-6-(3-fluoro-3-methylazetidin-1-ium-1-ylidene)xanthen-9-yl]benzoate;2-[3-(3,3-difluoroazetidin-1-ium-1-ylidene)-6-(3,3-difluoroazetidin-1-yl)xanthen-9-yl]benzoate;2-[7-(3-fluoroazetidin-1-yl)-5,5-dimethyl-3-(3-methylazetidin-1-ium-1-ylidene)benzo[b][1]benzosilin-10-yl]benzoate;methane has a molecular weight of 4350.67 g/mol, XLogP of 27.74, 40 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate);2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-tert-butylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoate;2-[3-(azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)xanthen-9-yl]-4-methylbenzoate;tetrakis(carbon dioxide);4-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-2-[3-(3,3-difluoroazetidin-1-yl)-6-(3-fluoro-3-methylazetidin-1-ium-1-ylidene)xanthen-9-yl]benzoate;2-[3-(3,3-difluoroazetidin-1-ium-1-ylidene)-6-(3,3-difluoroazetidin-1-yl)xanthen-9-yl]benzoate;2-[7-(3-fluoroazetidin-1-yl)-5,5-dimethyl-3-(3-methylazetidin-1-ium-1-ylidene)benzo[b][1]benzosilin-10-yl]benzoate;methane is sourced from PubChem (CID 158524108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158524108 — identifiers, structure, computed properties (public domain)

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