1-cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-methyl-3-propan-2-ylcarbazole;9-phenyl-3-propan-2-ylcarbazole;9-phenyl-4-propan-2-ylcarbazole;6-propan-2-yl-1,2,3,3a,4,5-hexahydroacenaphthylene;4-propan-2-ylbenzonitrile;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
C279H333F4N19OSi2 — CID 159452329
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-methyl-3-propan-2-ylcarbazole;9-phenyl-3-propan-2-ylcarbazole;9-phenyl-4-propan-2-ylcarbazole;6-propan-2-yl-1,2,3,3a,4,5-hexahydroacenaphthylene;4-propan-2-ylbenzonitrile;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
SMILESCC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C2CCCCC2)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc([Si](C)(C)C)cc1.CC(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.CC(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC(C)c1ccc2c(c1)c1ccccc1n2C.CC(C)c1ccc2c3c1CCCC3CC2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1cccc2c1CCCC2.CC(C)c1cccc2c1c1ccccc1n2-c1ccccc1.CC(C)c1cccc2cccnc12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1nccc2ccccc12.CC(C)c1ncccn1.COc1ccc(C(C)C)cc1
InChIInChI=1S/C27H26Si.2C21H19N.C16H17N.C15H20.C15H22.C13H18.4C12H13N.C12H20Si.C10H11F3.C10H11N.C10H14O.C9H11F.3C8H11N.4C7H10N2/c1-22(2)23-18-20-27(21-19-23)28(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26;1-15(2)17-12-8-14-20-21(17)18-11-6-7-13-19(18)22(20)16-9-4-3-5-10-16;1-15(2)16-12-13-21-19(14-16)18-10-6-7-11-20(18)22(21)17-8-4-3-5-9-17;1-11(2)12-8-9-16-14(10-12)13-6-4-5-7-15(13)17(16)3;1-10(2)13-9-8-12-7-6-11-4-3-5-14(13)15(11)12;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-10(2)11-6-8-12(9-7-11)13(3,4)5;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;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7/h3-22H,1-2H3;2*3-15H,1-2H3;4-11H,1-3H3;8-11H,3-7H2,1-2H3;8-12,14H,3-7H2,1-2H3;5,7,9-10H,3-4,6,8H2,1-2H3;4*3-9H,1-2H3;6-10H,1-5H3;3-7H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;3*3-7H,1-2H3;4*3-6H,1-2H3
InChIKeyLTNPOAUMEKEVPQ-UHFFFAOYSA-N
MW4101.03 g/mol
LogP75.26
Rot. Bonds32
About 1-cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-methyl-3-propan-2-ylcarbazole;9-phenyl-3-propan-2-ylcarbazole;9-phenyl-4-propan-2-ylcarbazole;6-propan-2-yl-1,2,3,3a,4,5-hexahydroacenaphthylene;4-propan-2-ylbenzonitrile;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
1-cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-methyl-3-propan-2-ylcarbazole;9-phenyl-3-propan-2-ylcarbazole;9-phenyl-4-propan-2-ylcarbazole;6-propan-2-yl-1,2,3,3a,4,5-hexahydroacenaphthylene;4-propan-2-ylbenzonitrile;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane (PubChem CID 159452329) has the molecular formula C279H333F4N19OSi2 and a molecular weight of 4101.03 g/mol. Its IUPAC name is 1-cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-methyl-3-propan-2-ylcarbazole;9-phenyl-3-propan-2-ylcarbazole;9-phenyl-4-propan-2-ylcarbazole;6-propan-2-yl-1,2,3,3a,4,5-hexahydroacenaphthylene;4-propan-2-ylbenzonitrile;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane.
Molecular Properties
| Compound Name | 1-cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-methyl-3-propan-2-ylcarbazole;9-phenyl-3-propan-2-ylcarbazole;9-phenyl-4-propan-2-ylcarbazole;6-propan-2-yl-1,2,3,3a,4,5-hexahydroacenaphthylene;4-propan-2-ylbenzonitrile;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane |
|---|---|
| PubChem CID | 159452329 |
| Molecular Formula | C279H333F4N19OSi2 |
| Molecular Weight | 4101.03 g/mol |
| Exact Mass | 4097.61 |
| IUPAC Name | 1-cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-methyl-3-propan-2-ylcarbazole;9-phenyl-3-propan-2-ylcarbazole;9-phenyl-4-propan-2-ylcarbazole;6-propan-2-yl-1,2,3,3a,4,5-hexahydroacenaphthylene;4-propan-2-ylbenzonitrile;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane |
| SMILES | CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C2CCCCC2)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc([Si](C)(C)C)cc1.CC(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.CC(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC(C)c1ccc2c(c1)c1ccccc1n2C.CC(C)c1ccc2c3c1CCCC3CC2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1cccc2c1CCCC2.CC(C)c1cccc2c1c1ccccc1n2-c1ccccc1.CC(C)c1cccc2cccnc12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1nccc2ccccc12.CC(C)c1ncccn1.COc1ccc(C(C)C)cc1 |
| InChI | InChI=1S/C27H26Si.2C21H19N.C16H17N.C15H20.C15H22.C13H18.4C12H13N.C12H20Si.C10H11F3.C10H11N.C10H14O.C9H11F.3C8H11N.4C7H10N2/c1-22(2)23-18-20-27(21-19-23)28(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26;1-15(2)17-12-8-14-20-21(17)18-11-6-7-13-19(18)22(20)16-9-4-3-5-10-16;1-15(2)16-12-13-21-19(14-16)18-10-6-7-11-20(18)22(21)17-8-4-3-5-9-17;1-11(2)12-8-9-16-14(10-12)13-6-4-5-7-15(13)17(16)3;1-10(2)13-9-8-12-7-6-11-4-3-5-14(13)15(11)12;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-10(2)11-6-8-12(9-7-11)13(3,4)5;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;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7/h3-22H,1-2H3;2*3-15H,1-2H3;4-11H,1-3H3;8-11H,3-7H2,1-2H3;8-12,14H,3-7H2,1-2H3;5,7,9-10H,3-4,6,8H2,1-2H3;4*3-9H,1-2H3;6-10H,1-5H3;3-7H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;3*3-7H,1-2H3;4*3-6H,1-2H3 |
| InChIKey | LTNPOAUMEKEVPQ-UHFFFAOYSA-N |
| XLogP | 75.26 |
| TPSA | 241.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 305 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4101.03 |
| LogP ≤ 5 | 75.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 1-cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-methyl-3-propan-2-ylcarbazole;9-phenyl-3-propan-2-ylcarbazole;9-phenyl-4-propan-2-ylcarbazole;6-propan-2-yl-1,2,3,3a,4,5-hexahydroacenaphthylene;4-propan-2-ylbenzonitrile;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane?
The IUPAC name of 1-cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-methyl-3-propan-2-ylcarbazole;9-phenyl-3-propan-2-ylcarbazole;9-phenyl-4-propan-2-ylcarbazole;6-propan-2-yl-1,2,3,3a,4,5-hexahydroacenaphthylene;4-propan-2-ylbenzonitrile;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane (CID 159452329) is 1-cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-methyl-3-propan-2-ylcarbazole;9-phenyl-3-propan-2-ylcarbazole;9-phenyl-4-propan-2-ylcarbazole;6-propan-2-yl-1,2,3,3a,4,5-hexahydroacenaphthylene;4-propan-2-ylbenzonitrile;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane.
What is the SMILES notation for 1-cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-methyl-3-propan-2-ylcarbazole;9-phenyl-3-propan-2-ylcarbazole;9-phenyl-4-propan-2-ylcarbazole;6-propan-2-yl-1,2,3,3a,4,5-hexahydroacenaphthylene;4-propan-2-ylbenzonitrile;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane?
The canonical SMILES for 1-cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-methyl-3-propan-2-ylcarbazole;9-phenyl-3-propan-2-ylcarbazole;9-phenyl-4-propan-2-ylcarbazole;6-propan-2-yl-1,2,3,3a,4,5-hexahydroacenaphthylene;4-propan-2-ylbenzonitrile;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane is CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C2CCCCC2)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc([Si](C)(C)C)cc1.CC(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.CC(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC(C)c1ccc2c(c1)c1ccccc1n2C.CC(C)c1ccc2c3c1CCCC3CC2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1cccc2c1CCCC2.CC(C)c1cccc2c1c1ccccc1n2-c1ccccc1.CC(C)c1cccc2cccnc12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1nccc2ccccc12.CC(C)c1ncccn1.COc1ccc(C(C)C)cc1.
What is the InChIKey of 1-cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-methyl-3-propan-2-ylcarbazole;9-phenyl-3-propan-2-ylcarbazole;9-phenyl-4-propan-2-ylcarbazole;6-propan-2-yl-1,2,3,3a,4,5-hexahydroacenaphthylene;4-propan-2-ylbenzonitrile;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane?
The InChIKey is LTNPOAUMEKEVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Si.2C21H19N.C16H17N.C15H20.C15H22.C13H18.4C12H13N.C12H20Si.C10H11F3.C10H11N.C10H14O.C9H11F.3C8H11N.4C7H10N2/c1-22(2)23-18-20-27(21-19-23)28(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26;1-15(2)17-12-8-14-20-21(17)18-11-6-7-13-19(18)22(20)16-9-4-3-5-10-16;1-15(2)16-12-13-21-19(14-16)18-10-6-7-11-20(18)22(21)17-8-4-3-5-9-17;1-11(2)12-8-9-16-14(10-12)13-6-4-5-7-15(13)17(16)3;1-10(2)13-9-8-12-7-6-11-4-3-5-14(13)15(11)12;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-10(2)11-6-8-12(9-7-11)13(3,4)5;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;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7/h3-22H,1-2H3;2*3-15H,1-2H3;4-11H,1-3H3;8-11H,3-7H2,1-2H3;8-12,14H,3-7H2,1-2H3;5,7,9-10H,3-4,6,8H2,1-2H3;4*3-9H,1-2H3;6-10H,1-5H3;3-7H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;3*3-7H,1-2H3;4*3-6H,1-2H3.
What are the key properties of 1-cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-methyl-3-propan-2-ylcarbazole;9-phenyl-3-propan-2-ylcarbazole;9-phenyl-4-propan-2-ylcarbazole;6-propan-2-yl-1,2,3,3a,4,5-hexahydroacenaphthylene;4-propan-2-ylbenzonitrile;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane?
1-cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-methyl-3-propan-2-ylcarbazole;9-phenyl-3-propan-2-ylcarbazole;9-phenyl-4-propan-2-ylcarbazole;6-propan-2-yl-1,2,3,3a,4,5-hexahydroacenaphthylene;4-propan-2-ylbenzonitrile;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane has a molecular weight of 4101.03 g/mol, XLogP of 75.26, 32 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-methyl-3-propan-2-ylcarbazole;9-phenyl-3-propan-2-ylcarbazole;9-phenyl-4-propan-2-ylcarbazole;6-propan-2-yl-1,2,3,3a,4,5-hexahydroacenaphthylene;4-propan-2-ylbenzonitrile;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane is sourced from PubChem (CID 159452329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159452329 — identifiers, structure, computed properties (public domain)
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