9,9-dimethyl-10-propan-2-yl-4a,9a-dihydroacridine;10,10-dimethyl-5-propan-2-yl-4a,10a-dihydrobenzo[b][1,4]benzazasiline;2,3-diphenyl-7-propan-2-ylquinazolin-3-ium;1-methoxy-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;5-methyl-10-propan-2-yl-4a,10a-dihydrophenazine;10-propan-2-yl-4a,10a-dihydrophenothiazine;10-propan-2-yl-4a,10a-dihydrophenoxazine;9-propan-2-ylacridine;10-propan-2-yl-9,9a-dihydro-4aH-acridine;9-propan-2-ylanthracene;11-propan-2-ylbenzo[b][1]benzazepine;10-propan-2-ylbenzo[g]isoquinoline;4-propan-2-ylbenzonitrile;11-propan-2-yl-5,6-dihydrobenzo[b][1]benzazepine;1-propan-2-yl-3,4-dihydro-2H-quinoline;5-propan-2-ylspiro[4a,10a-dihydrobenzo[b][1,4]benzazasiline-10,1'-silolane];1-propan-2-yl-4-(trifluoromethyl)benzene

C286H326F3N16O2SSi2+ — CID 159156318

IUPAC9,9-dimethyl-10-propan-2-yl-4a,9a-dihydroacridine;10,10-dimethyl-5-propan-2-yl-4a,10a-dihydrobenzo[b][1,4]benzazasiline;2,3-diphenyl-7-propan-2-ylquinazolin-3-ium;1-methoxy-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;5-methyl-10-propan-2-yl-4a,10a-dihydrophenazine;10-propan-2-yl-4a,10a-dihydrophenothiazine;10-propan-2-yl-4a,10a-dihydrophenoxazine;9-propan-2-ylacridine;10-propan-2-yl-9,9a-dihydro-4aH-acridine;9-propan-2-ylanthracene;11-propan-2-ylbenzo[b][1]benzazepine;10-propan-2-ylbenzo[g]isoquinoline;4-propan-2-ylbenzonitrile;11-propan-2-yl-5,6-dihydrobenzo[b][1]benzazepine;1-propan-2-yl-3,4-dihydro-2H-quinoline;5-propan-2-ylspiro[4a,10a-dihydrobenzo[b][1,4]benzazasiline-10,1'-silolane];1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)/C=C/c1ccccc1.CC(C)C#Cc1ccccc1.CC(C)N1CCCc2ccccc21.CC(C)N1c2ccccc2C(C)(C)C2C=CC=CC21.CC(C)N1c2ccccc2C=Cc2ccccc21.CC(C)N1c2ccccc2CC2C=CC=CC21.CC(C)N1c2ccccc2CCc2ccccc21.CC(C)N1c2ccccc2N(C)C2C=CC=CC21.CC(C)N1c2ccccc2OC2C=CC=CC21.CC(C)N1c2ccccc2SC2C=CC=CC21.CC(C)N1c2ccccc2[Si](C)(C)C2C=CC=CC21.CC(C)N1c2ccccc2[Si]2(CCCC2)C2C=CC=CC21.CC(C)c1c2ccccc2cc2ccccc12.CC(C)c1c2ccccc2cc2ccncc12.CC(C)c1c2ccccc2nc2ccccc12.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc2c[n+](-c3ccccc3)c(-c3ccccc3)nc2c1.COc1ccc(C(C)C)cc1
InChIInChI=1S/C23H21N2.C19H25NSi.C18H23N.C17H23NSi.C17H19N.C17H17N.C17H16.C16H20N2.C16H19N.2C16H15N.C15H17NO.C15H17NS.C12H17N.C11H14.C11H12.C10H11F3.C10H11N.C10H14O/c1-17(2)19-13-14-20-16-25(21-11-7-4-8-12-21)23(24-22(20)15-19)18-9-5-3-6-10-18;1-15(2)20-16-9-3-5-11-18(16)21(13-7-8-14-21)19-12-6-4-10-17(19)20;1-13(2)19-16-11-7-5-9-14(16)18(3,4)15-10-6-8-12-17(15)19;1-13(2)18-14-9-5-7-11-16(14)19(3,4)17-12-8-6-10-15(17)18;2*1-13(2)18-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)18;1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17;1-12(2)18-15-10-6-4-8-13(15)17(3)14-9-5-7-11-16(14)18;1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17;1-11(2)16-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)16;1-11(2)16-14-6-4-3-5-12(14)9-13-7-8-17-10-15(13)16;2*1-11(2)16-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)16;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;2*1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)9-4-6-10(11-3)7-5-9/h3-17H,1-2H3;3-6,9-12,15-16,18H,7-8,13-14H2,1-2H3;2*5-14,16H,1-4H3;3-10,13H,11-12H2,1-2H3;3-13H,1-2H3;3-12H,1-2H3;4-13,15H,1-3H3;3-10,12-13,15H,11H2,1-2H3;2*3-11H,1-2H3;2*3-12,14H,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;3-10H,1-2H3;3-7,10H,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3/q+1;;;;;;;;;;;;;;;;;;/b;;;;;;;;;;;;;;9-8+;;;;
InChIKeyYPEXHCATZHOUCZ-GFQPKIFYSA-N
MW4165.10 g/mol
LogP72.75
Rot. Bonds22

About 9,9-dimethyl-10-propan-2-yl-4a,9a-dihydroacridine;10,10-dimethyl-5-propan-2-yl-4a,10a-dihydrobenzo[b][1,4]benzazasiline;2,3-diphenyl-7-propan-2-ylquinazolin-3-ium;1-methoxy-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;5-methyl-10-propan-2-yl-4a,10a-dihydrophenazine;10-propan-2-yl-4a,10a-dihydrophenothiazine;10-propan-2-yl-4a,10a-dihydrophenoxazine;9-propan-2-ylacridine;10-propan-2-yl-9,9a-dihydro-4aH-acridine;9-propan-2-ylanthracene;11-propan-2-ylbenzo[b][1]benzazepine;10-propan-2-ylbenzo[g]isoquinoline;4-propan-2-ylbenzonitrile;11-propan-2-yl-5,6-dihydrobenzo[b][1]benzazepine;1-propan-2-yl-3,4-dihydro-2H-quinoline;5-propan-2-ylspiro[4a,10a-dihydrobenzo[b][1,4]benzazasiline-10,1'-silolane];1-propan-2-yl-4-(trifluoromethyl)benzene

9,9-dimethyl-10-propan-2-yl-4a,9a-dihydroacridine;10,10-dimethyl-5-propan-2-yl-4a,10a-dihydrobenzo[b][1,4]benzazasiline;2,3-diphenyl-7-propan-2-ylquinazolin-3-ium;1-methoxy-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;5-methyl-10-propan-2-yl-4a,10a-dihydrophenazine;10-propan-2-yl-4a,10a-dihydrophenothiazine;10-propan-2-yl-4a,10a-dihydrophenoxazine;9-propan-2-ylacridine;10-propan-2-yl-9,9a-dihydro-4aH-acridine;9-propan-2-ylanthracene;11-propan-2-ylbenzo[b][1]benzazepine;10-propan-2-ylbenzo[g]isoquinoline;4-propan-2-ylbenzonitrile;11-propan-2-yl-5,6-dihydrobenzo[b][1]benzazepine;1-propan-2-yl-3,4-dihydro-2H-quinoline;5-propan-2-ylspiro[4a,10a-dihydrobenzo[b][1,4]benzazasiline-10,1'-silolane];1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 159156318) has the molecular formula C286H326F3N16O2SSi2+ and a molecular weight of 4165.10 g/mol. Its IUPAC name is 9,9-dimethyl-10-propan-2-yl-4a,9a-dihydroacridine;10,10-dimethyl-5-propan-2-yl-4a,10a-dihydrobenzo[b][1,4]benzazasiline;2,3-diphenyl-7-propan-2-ylquinazolin-3-ium;1-methoxy-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;5-methyl-10-propan-2-yl-4a,10a-dihydrophenazine;10-propan-2-yl-4a,10a-dihydrophenothiazine;10-propan-2-yl-4a,10a-dihydrophenoxazine;9-propan-2-ylacridine;10-propan-2-yl-9,9a-dihydro-4aH-acridine;9-propan-2-ylanthracene;11-propan-2-ylbenzo[b][1]benzazepine;10-propan-2-ylbenzo[g]isoquinoline;4-propan-2-ylbenzonitrile;11-propan-2-yl-5,6-dihydrobenzo[b][1]benzazepine;1-propan-2-yl-3,4-dihydro-2H-quinoline;5-propan-2-ylspiro[4a,10a-dihydrobenzo[b][1,4]benzazasiline-10,1'-silolane];1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name9,9-dimethyl-10-propan-2-yl-4a,9a-dihydroacridine;10,10-dimethyl-5-propan-2-yl-4a,10a-dihydrobenzo[b][1,4]benzazasiline;2,3-diphenyl-7-propan-2-ylquinazolin-3-ium;1-methoxy-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;5-methyl-10-propan-2-yl-4a,10a-dihydrophenazine;10-propan-2-yl-4a,10a-dihydrophenothiazine;10-propan-2-yl-4a,10a-dihydrophenoxazine;9-propan-2-ylacridine;10-propan-2-yl-9,9a-dihydro-4aH-acridine;9-propan-2-ylanthracene;11-propan-2-ylbenzo[b][1]benzazepine;10-propan-2-ylbenzo[g]isoquinoline;4-propan-2-ylbenzonitrile;11-propan-2-yl-5,6-dihydrobenzo[b][1]benzazepine;1-propan-2-yl-3,4-dihydro-2H-quinoline;5-propan-2-ylspiro[4a,10a-dihydrobenzo[b][1,4]benzazasiline-10,1'-silolane];1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID159156318
Molecular FormulaC286H326F3N16O2SSi2+
Molecular Weight4165.10 g/mol
Exact Mass4161.51
IUPAC Name9,9-dimethyl-10-propan-2-yl-4a,9a-dihydroacridine;10,10-dimethyl-5-propan-2-yl-4a,10a-dihydrobenzo[b][1,4]benzazasiline;2,3-diphenyl-7-propan-2-ylquinazolin-3-ium;1-methoxy-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;5-methyl-10-propan-2-yl-4a,10a-dihydrophenazine;10-propan-2-yl-4a,10a-dihydrophenothiazine;10-propan-2-yl-4a,10a-dihydrophenoxazine;9-propan-2-ylacridine;10-propan-2-yl-9,9a-dihydro-4aH-acridine;9-propan-2-ylanthracene;11-propan-2-ylbenzo[b][1]benzazepine;10-propan-2-ylbenzo[g]isoquinoline;4-propan-2-ylbenzonitrile;11-propan-2-yl-5,6-dihydrobenzo[b][1]benzazepine;1-propan-2-yl-3,4-dihydro-2H-quinoline;5-propan-2-ylspiro[4a,10a-dihydrobenzo[b][1,4]benzazasiline-10,1'-silolane];1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)/C=C/c1ccccc1.CC(C)C#Cc1ccccc1.CC(C)N1CCCc2ccccc21.CC(C)N1c2ccccc2C(C)(C)C2C=CC=CC21.CC(C)N1c2ccccc2C=Cc2ccccc21.CC(C)N1c2ccccc2CC2C=CC=CC21.CC(C)N1c2ccccc2CCc2ccccc21.CC(C)N1c2ccccc2N(C)C2C=CC=CC21.CC(C)N1c2ccccc2OC2C=CC=CC21.CC(C)N1c2ccccc2SC2C=CC=CC21.CC(C)N1c2ccccc2[Si](C)(C)C2C=CC=CC21.CC(C)N1c2ccccc2[Si]2(CCCC2)C2C=CC=CC21.CC(C)c1c2ccccc2cc2ccccc12.CC(C)c1c2ccccc2cc2ccncc12.CC(C)c1c2ccccc2nc2ccccc12.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc2c[n+](-c3ccccc3)c(-c3ccccc3)nc2c1.COc1ccc(C(C)C)cc1
InChIInChI=1S/C23H21N2.C19H25NSi.C18H23N.C17H23NSi.C17H19N.C17H17N.C17H16.C16H20N2.C16H19N.2C16H15N.C15H17NO.C15H17NS.C12H17N.C11H14.C11H12.C10H11F3.C10H11N.C10H14O/c1-17(2)19-13-14-20-16-25(21-11-7-4-8-12-21)23(24-22(20)15-19)18-9-5-3-6-10-18;1-15(2)20-16-9-3-5-11-18(16)21(13-7-8-14-21)19-12-6-4-10-17(19)20;1-13(2)19-16-11-7-5-9-14(16)18(3,4)15-10-6-8-12-17(15)19;1-13(2)18-14-9-5-7-11-16(14)19(3,4)17-12-8-6-10-15(17)18;2*1-13(2)18-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)18;1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17;1-12(2)18-15-10-6-4-8-13(15)17(3)14-9-5-7-11-16(14)18;1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17;1-11(2)16-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)16;1-11(2)16-14-6-4-3-5-12(14)9-13-7-8-17-10-15(13)16;2*1-11(2)16-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)16;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;2*1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)9-4-6-10(11-3)7-5-9/h3-17H,1-2H3;3-6,9-12,15-16,18H,7-8,13-14H2,1-2H3;2*5-14,16H,1-4H3;3-10,13H,11-12H2,1-2H3;3-13H,1-2H3;3-12H,1-2H3;4-13,15H,1-3H3;3-10,12-13,15H,11H2,1-2H3;2*3-11H,1-2H3;2*3-12,14H,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;3-10H,1-2H3;3-7,10H,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3/q+1;;;;;;;;;;;;;;;;;;/b;;;;;;;;;;;;;;9-8+;;;;
InChIKeyYPEXHCATZHOUCZ-GFQPKIFYSA-N
XLogP72.75
TPSA120.44 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms310
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004165.10
LogP ≤ 572.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 9,9-dimethyl-10-propan-2-yl-4a,9a-dihydroacridine;10,10-dimethyl-5-propan-2-yl-4a,10a-dihydrobenzo[b][1,4]benzazasiline;2,3-diphenyl-7-propan-2-ylquinazolin-3-ium;1-methoxy-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;5-methyl-10-propan-2-yl-4a,10a-dihydrophenazine;10-propan-2-yl-4a,10a-dihydrophenothiazine;10-propan-2-yl-4a,10a-dihydrophenoxazine;9-propan-2-ylacridine;10-propan-2-yl-9,9a-dihydro-4aH-acridine;9-propan-2-ylanthracene;11-propan-2-ylbenzo[b][1]benzazepine;10-propan-2-ylbenzo[g]isoquinoline;4-propan-2-ylbenzonitrile;11-propan-2-yl-5,6-dihydrobenzo[b][1]benzazepine;1-propan-2-yl-3,4-dihydro-2H-quinoline;5-propan-2-ylspiro[4a,10a-dihydrobenzo[b][1,4]benzazasiline-10,1'-silolane];1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-propan-2-yl-4a,9a-dihydroacridine;10,10-dimethyl-5-propan-2-yl-4a,10a-dihydrobenzo[b][1,4]benzazasiline;2,3-diphenyl-7-propan-2-ylquinazolin-3-ium;1-methoxy-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;5-methyl-10-propan-2-yl-4a,10a-dihydrophenazine;10-propan-2-yl-4a,10a-dihydrophenothiazine;10-propan-2-yl-4a,10a-dihydrophenoxazine;9-propan-2-ylacridine;10-propan-2-yl-9,9a-dihydro-4aH-acridine;9-propan-2-ylanthracene;11-propan-2-ylbenzo[b][1]benzazepine;10-propan-2-ylbenzo[g]isoquinoline;4-propan-2-ylbenzonitrile;11-propan-2-yl-5,6-dihydrobenzo[b][1]benzazepine;1-propan-2-yl-3,4-dihydro-2H-quinoline;5-propan-2-ylspiro[4a,10a-dihydrobenzo[b][1,4]benzazasiline-10,1'-silolane];1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of 9,9-dimethyl-10-propan-2-yl-4a,9a-dihydroacridine;10,10-dimethyl-5-propan-2-yl-4a,10a-dihydrobenzo[b][1,4]benzazasiline;2,3-diphenyl-7-propan-2-ylquinazolin-3-ium;1-methoxy-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;5-methyl-10-propan-2-yl-4a,10a-dihydrophenazine;10-propan-2-yl-4a,10a-dihydrophenothiazine;10-propan-2-yl-4a,10a-dihydrophenoxazine;9-propan-2-ylacridine;10-propan-2-yl-9,9a-dihydro-4aH-acridine;9-propan-2-ylanthracene;11-propan-2-ylbenzo[b][1]benzazepine;10-propan-2-ylbenzo[g]isoquinoline;4-propan-2-ylbenzonitrile;11-propan-2-yl-5,6-dihydrobenzo[b][1]benzazepine;1-propan-2-yl-3,4-dihydro-2H-quinoline;5-propan-2-ylspiro[4a,10a-dihydrobenzo[b][1,4]benzazasiline-10,1'-silolane];1-propan-2-yl-4-(trifluoromethyl)benzene (CID 159156318) is 9,9-dimethyl-10-propan-2-yl-4a,9a-dihydroacridine;10,10-dimethyl-5-propan-2-yl-4a,10a-dihydrobenzo[b][1,4]benzazasiline;2,3-diphenyl-7-propan-2-ylquinazolin-3-ium;1-methoxy-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;5-methyl-10-propan-2-yl-4a,10a-dihydrophenazine;10-propan-2-yl-4a,10a-dihydrophenothiazine;10-propan-2-yl-4a,10a-dihydrophenoxazine;9-propan-2-ylacridine;10-propan-2-yl-9,9a-dihydro-4aH-acridine;9-propan-2-ylanthracene;11-propan-2-ylbenzo[b][1]benzazepine;10-propan-2-ylbenzo[g]isoquinoline;4-propan-2-ylbenzonitrile;11-propan-2-yl-5,6-dihydrobenzo[b][1]benzazepine;1-propan-2-yl-3,4-dihydro-2H-quinoline;5-propan-2-ylspiro[4a,10a-dihydrobenzo[b][1,4]benzazasiline-10,1'-silolane];1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 9,9-dimethyl-10-propan-2-yl-4a,9a-dihydroacridine;10,10-dimethyl-5-propan-2-yl-4a,10a-dihydrobenzo[b][1,4]benzazasiline;2,3-diphenyl-7-propan-2-ylquinazolin-3-ium;1-methoxy-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;5-methyl-10-propan-2-yl-4a,10a-dihydrophenazine;10-propan-2-yl-4a,10a-dihydrophenothiazine;10-propan-2-yl-4a,10a-dihydrophenoxazine;9-propan-2-ylacridine;10-propan-2-yl-9,9a-dihydro-4aH-acridine;9-propan-2-ylanthracene;11-propan-2-ylbenzo[b][1]benzazepine;10-propan-2-ylbenzo[g]isoquinoline;4-propan-2-ylbenzonitrile;11-propan-2-yl-5,6-dihydrobenzo[b][1]benzazepine;1-propan-2-yl-3,4-dihydro-2H-quinoline;5-propan-2-ylspiro[4a,10a-dihydrobenzo[b][1,4]benzazasiline-10,1'-silolane];1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for 9,9-dimethyl-10-propan-2-yl-4a,9a-dihydroacridine;10,10-dimethyl-5-propan-2-yl-4a,10a-dihydrobenzo[b][1,4]benzazasiline;2,3-diphenyl-7-propan-2-ylquinazolin-3-ium;1-methoxy-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;5-methyl-10-propan-2-yl-4a,10a-dihydrophenazine;10-propan-2-yl-4a,10a-dihydrophenothiazine;10-propan-2-yl-4a,10a-dihydrophenoxazine;9-propan-2-ylacridine;10-propan-2-yl-9,9a-dihydro-4aH-acridine;9-propan-2-ylanthracene;11-propan-2-ylbenzo[b][1]benzazepine;10-propan-2-ylbenzo[g]isoquinoline;4-propan-2-ylbenzonitrile;11-propan-2-yl-5,6-dihydrobenzo[b][1]benzazepine;1-propan-2-yl-3,4-dihydro-2H-quinoline;5-propan-2-ylspiro[4a,10a-dihydrobenzo[b][1,4]benzazasiline-10,1'-silolane];1-propan-2-yl-4-(trifluoromethyl)benzene is CC(C)/C=C/c1ccccc1.CC(C)C#Cc1ccccc1.CC(C)N1CCCc2ccccc21.CC(C)N1c2ccccc2C(C)(C)C2C=CC=CC21.CC(C)N1c2ccccc2C=Cc2ccccc21.CC(C)N1c2ccccc2CC2C=CC=CC21.CC(C)N1c2ccccc2CCc2ccccc21.CC(C)N1c2ccccc2N(C)C2C=CC=CC21.CC(C)N1c2ccccc2OC2C=CC=CC21.CC(C)N1c2ccccc2SC2C=CC=CC21.CC(C)N1c2ccccc2[Si](C)(C)C2C=CC=CC21.CC(C)N1c2ccccc2[Si]2(CCCC2)C2C=CC=CC21.CC(C)c1c2ccccc2cc2ccccc12.CC(C)c1c2ccccc2cc2ccncc12.CC(C)c1c2ccccc2nc2ccccc12.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc2c[n+](-c3ccccc3)c(-c3ccccc3)nc2c1.COc1ccc(C(C)C)cc1.
What is the InChIKey of 9,9-dimethyl-10-propan-2-yl-4a,9a-dihydroacridine;10,10-dimethyl-5-propan-2-yl-4a,10a-dihydrobenzo[b][1,4]benzazasiline;2,3-diphenyl-7-propan-2-ylquinazolin-3-ium;1-methoxy-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;5-methyl-10-propan-2-yl-4a,10a-dihydrophenazine;10-propan-2-yl-4a,10a-dihydrophenothiazine;10-propan-2-yl-4a,10a-dihydrophenoxazine;9-propan-2-ylacridine;10-propan-2-yl-9,9a-dihydro-4aH-acridine;9-propan-2-ylanthracene;11-propan-2-ylbenzo[b][1]benzazepine;10-propan-2-ylbenzo[g]isoquinoline;4-propan-2-ylbenzonitrile;11-propan-2-yl-5,6-dihydrobenzo[b][1]benzazepine;1-propan-2-yl-3,4-dihydro-2H-quinoline;5-propan-2-ylspiro[4a,10a-dihydrobenzo[b][1,4]benzazasiline-10,1'-silolane];1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is YPEXHCATZHOUCZ-GFQPKIFYSA-N. The full InChI is InChI=1S/C23H21N2.C19H25NSi.C18H23N.C17H23NSi.C17H19N.C17H17N.C17H16.C16H20N2.C16H19N.2C16H15N.C15H17NO.C15H17NS.C12H17N.C11H14.C11H12.C10H11F3.C10H11N.C10H14O/c1-17(2)19-13-14-20-16-25(21-11-7-4-8-12-21)23(24-22(20)15-19)18-9-5-3-6-10-18;1-15(2)20-16-9-3-5-11-18(16)21(13-7-8-14-21)19-12-6-4-10-17(19)20;1-13(2)19-16-11-7-5-9-14(16)18(3,4)15-10-6-8-12-17(15)19;1-13(2)18-14-9-5-7-11-16(14)19(3,4)17-12-8-6-10-15(17)18;2*1-13(2)18-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)18;1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17;1-12(2)18-15-10-6-4-8-13(15)17(3)14-9-5-7-11-16(14)18;1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17;1-11(2)16-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)16;1-11(2)16-14-6-4-3-5-12(14)9-13-7-8-17-10-15(13)16;2*1-11(2)16-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)16;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;2*1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)9-4-6-10(11-3)7-5-9/h3-17H,1-2H3;3-6,9-12,15-16,18H,7-8,13-14H2,1-2H3;2*5-14,16H,1-4H3;3-10,13H,11-12H2,1-2H3;3-13H,1-2H3;3-12H,1-2H3;4-13,15H,1-3H3;3-10,12-13,15H,11H2,1-2H3;2*3-11H,1-2H3;2*3-12,14H,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;3-10H,1-2H3;3-7,10H,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3/q+1;;;;;;;;;;;;;;;;;;/b;;;;;;;;;;;;;;9-8+;;;;.
What are the key properties of 9,9-dimethyl-10-propan-2-yl-4a,9a-dihydroacridine;10,10-dimethyl-5-propan-2-yl-4a,10a-dihydrobenzo[b][1,4]benzazasiline;2,3-diphenyl-7-propan-2-ylquinazolin-3-ium;1-methoxy-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;5-methyl-10-propan-2-yl-4a,10a-dihydrophenazine;10-propan-2-yl-4a,10a-dihydrophenothiazine;10-propan-2-yl-4a,10a-dihydrophenoxazine;9-propan-2-ylacridine;10-propan-2-yl-9,9a-dihydro-4aH-acridine;9-propan-2-ylanthracene;11-propan-2-ylbenzo[b][1]benzazepine;10-propan-2-ylbenzo[g]isoquinoline;4-propan-2-ylbenzonitrile;11-propan-2-yl-5,6-dihydrobenzo[b][1]benzazepine;1-propan-2-yl-3,4-dihydro-2H-quinoline;5-propan-2-ylspiro[4a,10a-dihydrobenzo[b][1,4]benzazasiline-10,1'-silolane];1-propan-2-yl-4-(trifluoromethyl)benzene?
9,9-dimethyl-10-propan-2-yl-4a,9a-dihydroacridine;10,10-dimethyl-5-propan-2-yl-4a,10a-dihydrobenzo[b][1,4]benzazasiline;2,3-diphenyl-7-propan-2-ylquinazolin-3-ium;1-methoxy-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;5-methyl-10-propan-2-yl-4a,10a-dihydrophenazine;10-propan-2-yl-4a,10a-dihydrophenothiazine;10-propan-2-yl-4a,10a-dihydrophenoxazine;9-propan-2-ylacridine;10-propan-2-yl-9,9a-dihydro-4aH-acridine;9-propan-2-ylanthracene;11-propan-2-ylbenzo[b][1]benzazepine;10-propan-2-ylbenzo[g]isoquinoline;4-propan-2-ylbenzonitrile;11-propan-2-yl-5,6-dihydrobenzo[b][1]benzazepine;1-propan-2-yl-3,4-dihydro-2H-quinoline;5-propan-2-ylspiro[4a,10a-dihydrobenzo[b][1,4]benzazasiline-10,1'-silolane];1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 4165.10 g/mol, XLogP of 72.75, 22 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-propan-2-yl-4a,9a-dihydroacridine;10,10-dimethyl-5-propan-2-yl-4a,10a-dihydrobenzo[b][1,4]benzazasiline;2,3-diphenyl-7-propan-2-ylquinazolin-3-ium;1-methoxy-4-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;5-methyl-10-propan-2-yl-4a,10a-dihydrophenazine;10-propan-2-yl-4a,10a-dihydrophenothiazine;10-propan-2-yl-4a,10a-dihydrophenoxazine;9-propan-2-ylacridine;10-propan-2-yl-9,9a-dihydro-4aH-acridine;9-propan-2-ylanthracene;11-propan-2-ylbenzo[b][1]benzazepine;10-propan-2-ylbenzo[g]isoquinoline;4-propan-2-ylbenzonitrile;11-propan-2-yl-5,6-dihydrobenzo[b][1]benzazepine;1-propan-2-yl-3,4-dihydro-2H-quinoline;5-propan-2-ylspiro[4a,10a-dihydrobenzo[b][1,4]benzazasiline-10,1'-silolane];1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 159156318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).