(4-anthracen-9-yl-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;carbanide;(4-cyclohexyl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;nonakis(dichlorotitanium);dimethyl-[(4R)-2-methyl-4-phenyl-1,2,3,3a,4,8a-hexahydroazulen-1-yl]-piperazin-4-id-1-ylsilane;dimethyl-(6-methyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl)-piperazin-4-id-1-ylsilane;dimethyl-[2-methyl-4-[4-(trifluoromethyl)phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane;(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethyl-piperazin-4-id-1-ylsilane;4-[1-[dimethyl(piperazin-4-id-1-yl)silyl]-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl]-N,N-dimethylaniline;(2-ethyl-4-naphthalen-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;(2-ethyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane

C224H329Cl18F3N20SSi9Ti9-18 — CID 162272744

IUPAC(4-anthracen-9-yl-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;carbanide;(4-cyclohexyl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;nonakis(dichlorotitanium);dimethyl-[(4R)-2-methyl-4-phenyl-1,2,3,3a,4,8a-hexahydroazulen-1-yl]-piperazin-4-id-1-ylsilane;dimethyl-(6-methyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl)-piperazin-4-id-1-ylsilane;dimethyl-[2-methyl-4-[4-(trifluoromethyl)phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane;(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethyl-piperazin-4-id-1-ylsilane;4-[1-[dimethyl(piperazin-4-id-1-yl)silyl]-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl]-N,N-dimethylaniline;(2-ethyl-4-naphthalen-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;(2-ethyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane
SMILESCC1=C(c2ccccc2)C2CC(C)C([Si](C)(C)N3CC[N-]CC3)C2S1.CC1CC2C(C3CCCCC3)=CC=CC2C1[Si](C)(C)N1CC[N-]CC1.CC1CC2C(C=CC=C[C@H]2c2ccccc2)C1[Si](C)(C)N1CC[N-]CC1.CC1CC2C(c3ccc(C(F)(F)F)cc3)=CC=CC2C1[Si](C)(C)N1CC[N-]CC1.CC1CC2C(c3ccc(N(C)C)cc3)=CC=CC2C1[Si](C)(C)N1CC[N-]CC1.CC1CC2C(c3ccccc3)=CC=NC2C1[Si](C)(C)N1CC[N-]CC1.CCC1CC2C(c3c4ccccc4cc4ccccc34)=CC=CC2C1[Si](C)(C)N1CC[N-]CC1.CCC1CC2C(c3cccc4ccccc34)=CC=CC2C1[Si](C)(C)N1CC[N-]CC1.CCC1CC2C(c3ccccc3)=CC=CC2C1[Si](C)(C)N1CC[N-]CC1.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C31H37N2Si.C27H35N2Si.C24H36N3Si.C23H30F3N2Si.2C23H33N2Si.C22H37N2Si.C21H30N3Si.C21H31N2SSi.9CH3.18ClH.9Ti/c1-4-22-21-29-27(14-9-15-28(29)31(22)34(2,3)33-18-16-32-17-19-33)30-25-12-7-5-10-23(25)20-24-11-6-8-13-26(24)30;1-4-20-19-26-24(23-12-7-10-21-9-5-6-11-22(21)23)13-8-14-25(26)27(20)30(2,3)29-17-15-28-16-18-29;1-18-17-23-21(19-9-11-20(12-10-19)26(2)3)7-6-8-22(23)24(18)28(4,5)27-15-13-25-14-16-27;1-16-15-21-19(17-7-9-18(10-8-17)23(24,25)26)5-4-6-20(21)22(16)29(2,3)28-13-11-27-12-14-28;1-18-17-22-20(19-9-5-4-6-10-19)11-7-8-12-21(22)23(18)26(2,3)25-15-13-24-14-16-25;1-4-18-17-22-20(19-9-6-5-7-10-19)11-8-12-21(22)23(18)26(2,3)25-15-13-24-14-16-25;1-17-16-21-19(18-8-5-4-6-9-18)10-7-11-20(21)22(17)25(2,3)24-14-12-23-13-15-24;1-16-15-19-18(17-7-5-4-6-8-17)9-10-23-20(19)21(16)25(2,3)24-13-11-22-12-14-24;1-15-14-18-19(17-8-6-5-7-9-17)16(2)24-20(18)21(15)25(3,4)23-12-10-22-11-13-23;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-15,20,22,28-29,31H,4,16-19,21H2,1-3H3;5-14,20,25-27H,4,15-19H2,1-3H3;6-12,18,22-24H,13-17H2,1-5H3;4-10,16,20-22H,11-15H2,1-3H3;4-12,18,20-23H,13-17H2,1-3H3;5-12,18,21-23H,4,13-17H2,1-3H3;7,10-11,17-18,20-22H,4-6,8-9,12-16H2,1-3H3;4-10,16,19-21H,11-15H2,1-3H3;5-9,15,18,20-21H,10-14H2,1-4H3;9*1H3;18*1H;;;;;;;;;/q18*-1;;;;;;;;;;;;;;;;;;;9*+2/p-18/t;;;;18?,20-,21?,22?,23?;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m....0......................................../s1
InChIKeyBHSRWTDUNJPEHX-UPMPFNTQSA-A
MW4713.03 g/mol
LogP68.97
Rot. Bonds31

About (4-anthracen-9-yl-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;carbanide;(4-cyclohexyl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;nonakis(dichlorotitanium);dimethyl-[(4R)-2-methyl-4-phenyl-1,2,3,3a,4,8a-hexahydroazulen-1-yl]-piperazin-4-id-1-ylsilane;dimethyl-(6-methyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl)-piperazin-4-id-1-ylsilane;dimethyl-[2-methyl-4-[4-(trifluoromethyl)phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane;(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethyl-piperazin-4-id-1-ylsilane;4-[1-[dimethyl(piperazin-4-id-1-yl)silyl]-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl]-N,N-dimethylaniline;(2-ethyl-4-naphthalen-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;(2-ethyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane

(4-anthracen-9-yl-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;carbanide;(4-cyclohexyl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;nonakis(dichlorotitanium);dimethyl-[(4R)-2-methyl-4-phenyl-1,2,3,3a,4,8a-hexahydroazulen-1-yl]-piperazin-4-id-1-ylsilane;dimethyl-(6-methyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl)-piperazin-4-id-1-ylsilane;dimethyl-[2-methyl-4-[4-(trifluoromethyl)phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane;(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethyl-piperazin-4-id-1-ylsilane;4-[1-[dimethyl(piperazin-4-id-1-yl)silyl]-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl]-N,N-dimethylaniline;(2-ethyl-4-naphthalen-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;(2-ethyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane (PubChem CID 162272744) has the molecular formula C224H329Cl18F3N20SSi9Ti9-18 and a molecular weight of 4713.03 g/mol. Its IUPAC name is (4-anthracen-9-yl-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;carbanide;(4-cyclohexyl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;nonakis(dichlorotitanium);dimethyl-[(4R)-2-methyl-4-phenyl-1,2,3,3a,4,8a-hexahydroazulen-1-yl]-piperazin-4-id-1-ylsilane;dimethyl-(6-methyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl)-piperazin-4-id-1-ylsilane;dimethyl-[2-methyl-4-[4-(trifluoromethyl)phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane;(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethyl-piperazin-4-id-1-ylsilane;4-[1-[dimethyl(piperazin-4-id-1-yl)silyl]-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl]-N,N-dimethylaniline;(2-ethyl-4-naphthalen-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;(2-ethyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane.

Molecular Properties

Compound Name(4-anthracen-9-yl-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;carbanide;(4-cyclohexyl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;nonakis(dichlorotitanium);dimethyl-[(4R)-2-methyl-4-phenyl-1,2,3,3a,4,8a-hexahydroazulen-1-yl]-piperazin-4-id-1-ylsilane;dimethyl-(6-methyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl)-piperazin-4-id-1-ylsilane;dimethyl-[2-methyl-4-[4-(trifluoromethyl)phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane;(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethyl-piperazin-4-id-1-ylsilane;4-[1-[dimethyl(piperazin-4-id-1-yl)silyl]-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl]-N,N-dimethylaniline;(2-ethyl-4-naphthalen-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;(2-ethyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane
PubChem CID162272744
Molecular FormulaC224H329Cl18F3N20SSi9Ti9-18
Molecular Weight4713.03 g/mol
Exact Mass4701.38
IUPAC Name(4-anthracen-9-yl-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;carbanide;(4-cyclohexyl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;nonakis(dichlorotitanium);dimethyl-[(4R)-2-methyl-4-phenyl-1,2,3,3a,4,8a-hexahydroazulen-1-yl]-piperazin-4-id-1-ylsilane;dimethyl-(6-methyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl)-piperazin-4-id-1-ylsilane;dimethyl-[2-methyl-4-[4-(trifluoromethyl)phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane;(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethyl-piperazin-4-id-1-ylsilane;4-[1-[dimethyl(piperazin-4-id-1-yl)silyl]-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl]-N,N-dimethylaniline;(2-ethyl-4-naphthalen-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;(2-ethyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane
SMILESCC1=C(c2ccccc2)C2CC(C)C([Si](C)(C)N3CC[N-]CC3)C2S1.CC1CC2C(C3CCCCC3)=CC=CC2C1[Si](C)(C)N1CC[N-]CC1.CC1CC2C(C=CC=C[C@H]2c2ccccc2)C1[Si](C)(C)N1CC[N-]CC1.CC1CC2C(c3ccc(C(F)(F)F)cc3)=CC=CC2C1[Si](C)(C)N1CC[N-]CC1.CC1CC2C(c3ccc(N(C)C)cc3)=CC=CC2C1[Si](C)(C)N1CC[N-]CC1.CC1CC2C(c3ccccc3)=CC=NC2C1[Si](C)(C)N1CC[N-]CC1.CCC1CC2C(c3c4ccccc4cc4ccccc34)=CC=CC2C1[Si](C)(C)N1CC[N-]CC1.CCC1CC2C(c3cccc4ccccc34)=CC=CC2C1[Si](C)(C)N1CC[N-]CC1.CCC1CC2C(c3ccccc3)=CC=CC2C1[Si](C)(C)N1CC[N-]CC1.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C31H37N2Si.C27H35N2Si.C24H36N3Si.C23H30F3N2Si.2C23H33N2Si.C22H37N2Si.C21H30N3Si.C21H31N2SSi.9CH3.18ClH.9Ti/c1-4-22-21-29-27(14-9-15-28(29)31(22)34(2,3)33-18-16-32-17-19-33)30-25-12-7-5-10-23(25)20-24-11-6-8-13-26(24)30;1-4-20-19-26-24(23-12-7-10-21-9-5-6-11-22(21)23)13-8-14-25(26)27(20)30(2,3)29-17-15-28-16-18-29;1-18-17-23-21(19-9-11-20(12-10-19)26(2)3)7-6-8-22(23)24(18)28(4,5)27-15-13-25-14-16-27;1-16-15-21-19(17-7-9-18(10-8-17)23(24,25)26)5-4-6-20(21)22(16)29(2,3)28-13-11-27-12-14-28;1-18-17-22-20(19-9-5-4-6-10-19)11-7-8-12-21(22)23(18)26(2,3)25-15-13-24-14-16-25;1-4-18-17-22-20(19-9-6-5-7-10-19)11-8-12-21(22)23(18)26(2,3)25-15-13-24-14-16-25;1-17-16-21-19(18-8-5-4-6-9-18)10-7-11-20(21)22(17)25(2,3)24-14-12-23-13-15-24;1-16-15-19-18(17-7-5-4-6-8-17)9-10-23-20(19)21(16)25(2,3)24-13-11-22-12-14-24;1-15-14-18-19(17-8-6-5-7-9-17)16(2)24-20(18)21(15)25(3,4)23-12-10-22-11-13-23;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-15,20,22,28-29,31H,4,16-19,21H2,1-3H3;5-14,20,25-27H,4,15-19H2,1-3H3;6-12,18,22-24H,13-17H2,1-5H3;4-10,16,20-22H,11-15H2,1-3H3;4-12,18,20-23H,13-17H2,1-3H3;5-12,18,21-23H,4,13-17H2,1-3H3;7,10-11,17-18,20-22H,4-6,8-9,12-16H2,1-3H3;4-10,16,19-21H,11-15H2,1-3H3;5-9,15,18,20-21H,10-14H2,1-4H3;9*1H3;18*1H;;;;;;;;;/q18*-1;;;;;;;;;;;;;;;;;;;9*+2/p-18/t;;;;18?,20-,21?,22?,23?;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m....0......................................../s1
InChIKeyBHSRWTDUNJPEHX-UPMPFNTQSA-A
XLogP68.97
TPSA171.66 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds31
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004713.03
LogP ≤ 568.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze (4-anthracen-9-yl-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;carbanide;(4-cyclohexyl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;nonakis(dichlorotitanium);dimethyl-[(4R)-2-methyl-4-phenyl-1,2,3,3a,4,8a-hexahydroazulen-1-yl]-piperazin-4-id-1-ylsilane;dimethyl-(6-methyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl)-piperazin-4-id-1-ylsilane;dimethyl-[2-methyl-4-[4-(trifluoromethyl)phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane;(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethyl-piperazin-4-id-1-ylsilane;4-[1-[dimethyl(piperazin-4-id-1-yl)silyl]-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl]-N,N-dimethylaniline;(2-ethyl-4-naphthalen-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;(2-ethyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-anthracen-9-yl-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;carbanide;(4-cyclohexyl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;nonakis(dichlorotitanium);dimethyl-[(4R)-2-methyl-4-phenyl-1,2,3,3a,4,8a-hexahydroazulen-1-yl]-piperazin-4-id-1-ylsilane;dimethyl-(6-methyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl)-piperazin-4-id-1-ylsilane;dimethyl-[2-methyl-4-[4-(trifluoromethyl)phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane;(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethyl-piperazin-4-id-1-ylsilane;4-[1-[dimethyl(piperazin-4-id-1-yl)silyl]-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl]-N,N-dimethylaniline;(2-ethyl-4-naphthalen-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;(2-ethyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane?
The IUPAC name of (4-anthracen-9-yl-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;carbanide;(4-cyclohexyl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;nonakis(dichlorotitanium);dimethyl-[(4R)-2-methyl-4-phenyl-1,2,3,3a,4,8a-hexahydroazulen-1-yl]-piperazin-4-id-1-ylsilane;dimethyl-(6-methyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl)-piperazin-4-id-1-ylsilane;dimethyl-[2-methyl-4-[4-(trifluoromethyl)phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane;(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethyl-piperazin-4-id-1-ylsilane;4-[1-[dimethyl(piperazin-4-id-1-yl)silyl]-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl]-N,N-dimethylaniline;(2-ethyl-4-naphthalen-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;(2-ethyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane (CID 162272744) is (4-anthracen-9-yl-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;carbanide;(4-cyclohexyl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;nonakis(dichlorotitanium);dimethyl-[(4R)-2-methyl-4-phenyl-1,2,3,3a,4,8a-hexahydroazulen-1-yl]-piperazin-4-id-1-ylsilane;dimethyl-(6-methyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl)-piperazin-4-id-1-ylsilane;dimethyl-[2-methyl-4-[4-(trifluoromethyl)phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane;(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethyl-piperazin-4-id-1-ylsilane;4-[1-[dimethyl(piperazin-4-id-1-yl)silyl]-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl]-N,N-dimethylaniline;(2-ethyl-4-naphthalen-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;(2-ethyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane.
What is the SMILES notation for (4-anthracen-9-yl-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;carbanide;(4-cyclohexyl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;nonakis(dichlorotitanium);dimethyl-[(4R)-2-methyl-4-phenyl-1,2,3,3a,4,8a-hexahydroazulen-1-yl]-piperazin-4-id-1-ylsilane;dimethyl-(6-methyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl)-piperazin-4-id-1-ylsilane;dimethyl-[2-methyl-4-[4-(trifluoromethyl)phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane;(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethyl-piperazin-4-id-1-ylsilane;4-[1-[dimethyl(piperazin-4-id-1-yl)silyl]-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl]-N,N-dimethylaniline;(2-ethyl-4-naphthalen-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;(2-ethyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane?
The canonical SMILES for (4-anthracen-9-yl-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;carbanide;(4-cyclohexyl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;nonakis(dichlorotitanium);dimethyl-[(4R)-2-methyl-4-phenyl-1,2,3,3a,4,8a-hexahydroazulen-1-yl]-piperazin-4-id-1-ylsilane;dimethyl-(6-methyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl)-piperazin-4-id-1-ylsilane;dimethyl-[2-methyl-4-[4-(trifluoromethyl)phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane;(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethyl-piperazin-4-id-1-ylsilane;4-[1-[dimethyl(piperazin-4-id-1-yl)silyl]-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl]-N,N-dimethylaniline;(2-ethyl-4-naphthalen-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;(2-ethyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane is CC1=C(c2ccccc2)C2CC(C)C([Si](C)(C)N3CC[N-]CC3)C2S1.CC1CC2C(C3CCCCC3)=CC=CC2C1[Si](C)(C)N1CC[N-]CC1.CC1CC2C(C=CC=C[C@H]2c2ccccc2)C1[Si](C)(C)N1CC[N-]CC1.CC1CC2C(c3ccc(C(F)(F)F)cc3)=CC=CC2C1[Si](C)(C)N1CC[N-]CC1.CC1CC2C(c3ccc(N(C)C)cc3)=CC=CC2C1[Si](C)(C)N1CC[N-]CC1.CC1CC2C(c3ccccc3)=CC=NC2C1[Si](C)(C)N1CC[N-]CC1.CCC1CC2C(c3c4ccccc4cc4ccccc34)=CC=CC2C1[Si](C)(C)N1CC[N-]CC1.CCC1CC2C(c3cccc4ccccc34)=CC=CC2C1[Si](C)(C)N1CC[N-]CC1.CCC1CC2C(c3ccccc3)=CC=CC2C1[Si](C)(C)N1CC[N-]CC1.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of (4-anthracen-9-yl-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;carbanide;(4-cyclohexyl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;nonakis(dichlorotitanium);dimethyl-[(4R)-2-methyl-4-phenyl-1,2,3,3a,4,8a-hexahydroazulen-1-yl]-piperazin-4-id-1-ylsilane;dimethyl-(6-methyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl)-piperazin-4-id-1-ylsilane;dimethyl-[2-methyl-4-[4-(trifluoromethyl)phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane;(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethyl-piperazin-4-id-1-ylsilane;4-[1-[dimethyl(piperazin-4-id-1-yl)silyl]-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl]-N,N-dimethylaniline;(2-ethyl-4-naphthalen-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;(2-ethyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane?
The InChIKey is BHSRWTDUNJPEHX-UPMPFNTQSA-A. The full InChI is InChI=1S/C31H37N2Si.C27H35N2Si.C24H36N3Si.C23H30F3N2Si.2C23H33N2Si.C22H37N2Si.C21H30N3Si.C21H31N2SSi.9CH3.18ClH.9Ti/c1-4-22-21-29-27(14-9-15-28(29)31(22)34(2,3)33-18-16-32-17-19-33)30-25-12-7-5-10-23(25)20-24-11-6-8-13-26(24)30;1-4-20-19-26-24(23-12-7-10-21-9-5-6-11-22(21)23)13-8-14-25(26)27(20)30(2,3)29-17-15-28-16-18-29;1-18-17-23-21(19-9-11-20(12-10-19)26(2)3)7-6-8-22(23)24(18)28(4,5)27-15-13-25-14-16-27;1-16-15-21-19(17-7-9-18(10-8-17)23(24,25)26)5-4-6-20(21)22(16)29(2,3)28-13-11-27-12-14-28;1-18-17-22-20(19-9-5-4-6-10-19)11-7-8-12-21(22)23(18)26(2,3)25-15-13-24-14-16-25;1-4-18-17-22-20(19-9-6-5-7-10-19)11-8-12-21(22)23(18)26(2,3)25-15-13-24-14-16-25;1-17-16-21-19(18-8-5-4-6-9-18)10-7-11-20(21)22(17)25(2,3)24-14-12-23-13-15-24;1-16-15-19-18(17-7-5-4-6-8-17)9-10-23-20(19)21(16)25(2,3)24-13-11-22-12-14-24;1-15-14-18-19(17-8-6-5-7-9-17)16(2)24-20(18)21(15)25(3,4)23-12-10-22-11-13-23;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-15,20,22,28-29,31H,4,16-19,21H2,1-3H3;5-14,20,25-27H,4,15-19H2,1-3H3;6-12,18,22-24H,13-17H2,1-5H3;4-10,16,20-22H,11-15H2,1-3H3;4-12,18,20-23H,13-17H2,1-3H3;5-12,18,21-23H,4,13-17H2,1-3H3;7,10-11,17-18,20-22H,4-6,8-9,12-16H2,1-3H3;4-10,16,19-21H,11-15H2,1-3H3;5-9,15,18,20-21H,10-14H2,1-4H3;9*1H3;18*1H;;;;;;;;;/q18*-1;;;;;;;;;;;;;;;;;;;9*+2/p-18/t;;;;18?,20-,21?,22?,23?;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m....0......................................../s1.
What are the key properties of (4-anthracen-9-yl-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;carbanide;(4-cyclohexyl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;nonakis(dichlorotitanium);dimethyl-[(4R)-2-methyl-4-phenyl-1,2,3,3a,4,8a-hexahydroazulen-1-yl]-piperazin-4-id-1-ylsilane;dimethyl-(6-methyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl)-piperazin-4-id-1-ylsilane;dimethyl-[2-methyl-4-[4-(trifluoromethyl)phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane;(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethyl-piperazin-4-id-1-ylsilane;4-[1-[dimethyl(piperazin-4-id-1-yl)silyl]-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl]-N,N-dimethylaniline;(2-ethyl-4-naphthalen-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;(2-ethyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane?
(4-anthracen-9-yl-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;carbanide;(4-cyclohexyl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;nonakis(dichlorotitanium);dimethyl-[(4R)-2-methyl-4-phenyl-1,2,3,3a,4,8a-hexahydroazulen-1-yl]-piperazin-4-id-1-ylsilane;dimethyl-(6-methyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl)-piperazin-4-id-1-ylsilane;dimethyl-[2-methyl-4-[4-(trifluoromethyl)phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane;(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethyl-piperazin-4-id-1-ylsilane;4-[1-[dimethyl(piperazin-4-id-1-yl)silyl]-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl]-N,N-dimethylaniline;(2-ethyl-4-naphthalen-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;(2-ethyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane has a molecular weight of 4713.03 g/mol, XLogP of 68.97, 31 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anthracen-9-yl-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;carbanide;(4-cyclohexyl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;nonakis(dichlorotitanium);dimethyl-[(4R)-2-methyl-4-phenyl-1,2,3,3a,4,8a-hexahydroazulen-1-yl]-piperazin-4-id-1-ylsilane;dimethyl-(6-methyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl)-piperazin-4-id-1-ylsilane;dimethyl-[2-methyl-4-[4-(trifluoromethyl)phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane;(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethyl-piperazin-4-id-1-ylsilane;4-[1-[dimethyl(piperazin-4-id-1-yl)silyl]-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl]-N,N-dimethylaniline;(2-ethyl-4-naphthalen-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane;(2-ethyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-4-id-1-ylsilane is sourced from PubChem (CID 162272744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).