1-(2,2,4,4,4-pentafluorobutyl)-3,5,7-triphenyladamantane;trimethyl-(3,5,7-triphenyl-1-adamantyl)silane;triphenyl-(3,5,7-triphenyl-1-adamantyl)silane

C109H109F5Si2 — CID 158662711

IUPAC1-(2,2,4,4,4-pentafluorobutyl)-3,5,7-triphenyladamantane;trimethyl-(3,5,7-triphenyl-1-adamantyl)silane;triphenyl-(3,5,7-triphenyl-1-adamantyl)silane
SMILESC[Si](C)(C)C12CC3(c4ccccc4)CC(c4ccccc4)(CC(c4ccccc4)(C3)C1)C2.FC(F)(F)CC(F)(F)CC12CC3(c4ccccc4)CC(c4ccccc4)(C1)CC(c1ccccc1)(C2)C3.c1ccc(C23CC4(c5ccccc5)CC(c5ccccc5)(C2)CC([Si](c2ccccc2)(c2ccccc2)c2ccccc2)(C3)C4)cc1
InChIInChI=1S/C46H42Si.C32H31F5.C31H36Si/c1-7-19-37(20-8-1)43-31-44(38-21-9-2-10-22-38)33-45(32-43,39-23-11-3-12-24-39)36-46(34-43,35-44)47(40-25-13-4-14-26-40,41-27-15-5-16-28-41)42-29-17-6-18-30-42;33-31(34,23-32(35,36)37)19-27-16-28(24-10-4-1-5-11-24)20-29(17-27,25-12-6-2-7-13-25)22-30(18-27,21-28)26-14-8-3-9-15-26;1-32(2,3)31-22-28(25-13-7-4-8-14-25)19-29(23-31,26-15-9-5-10-16-26)21-30(20-28,24-31)27-17-11-6-12-18-27/h1-30H,31-36H2;1-15H,16-23H2;4-18H,19-24H2,1-3H3
InChIKeyICYNKWXSFNICLV-UHFFFAOYSA-N
MW1570.23 g/mol
LogP26.50
Rot. Bonds17

About 1-(2,2,4,4,4-pentafluorobutyl)-3,5,7-triphenyladamantane;trimethyl-(3,5,7-triphenyl-1-adamantyl)silane;triphenyl-(3,5,7-triphenyl-1-adamantyl)silane

1-(2,2,4,4,4-pentafluorobutyl)-3,5,7-triphenyladamantane;trimethyl-(3,5,7-triphenyl-1-adamantyl)silane;triphenyl-(3,5,7-triphenyl-1-adamantyl)silane (PubChem CID 158662711) has the molecular formula C109H109F5Si2 and a molecular weight of 1570.23 g/mol. Its IUPAC name is 1-(2,2,4,4,4-pentafluorobutyl)-3,5,7-triphenyladamantane;trimethyl-(3,5,7-triphenyl-1-adamantyl)silane;triphenyl-(3,5,7-triphenyl-1-adamantyl)silane.

Molecular Properties

Compound Name1-(2,2,4,4,4-pentafluorobutyl)-3,5,7-triphenyladamantane;trimethyl-(3,5,7-triphenyl-1-adamantyl)silane;triphenyl-(3,5,7-triphenyl-1-adamantyl)silane
PubChem CID158662711
Molecular FormulaC109H109F5Si2
Molecular Weight1570.23 g/mol
Exact Mass1568.80
IUPAC Name1-(2,2,4,4,4-pentafluorobutyl)-3,5,7-triphenyladamantane;trimethyl-(3,5,7-triphenyl-1-adamantyl)silane;triphenyl-(3,5,7-triphenyl-1-adamantyl)silane
SMILESC[Si](C)(C)C12CC3(c4ccccc4)CC(c4ccccc4)(CC(c4ccccc4)(C3)C1)C2.FC(F)(F)CC(F)(F)CC12CC3(c4ccccc4)CC(c4ccccc4)(C1)CC(c1ccccc1)(C2)C3.c1ccc(C23CC4(c5ccccc5)CC(c5ccccc5)(C2)CC([Si](c2ccccc2)(c2ccccc2)c2ccccc2)(C3)C4)cc1
InChIInChI=1S/C46H42Si.C32H31F5.C31H36Si/c1-7-19-37(20-8-1)43-31-44(38-21-9-2-10-22-38)33-45(32-43,39-23-11-3-12-24-39)36-46(34-43,35-44)47(40-25-13-4-14-26-40,41-27-15-5-16-28-41)42-29-17-6-18-30-42;33-31(34,23-32(35,36)37)19-27-16-28(24-10-4-1-5-11-24)20-29(17-27,25-12-6-2-7-13-25)22-30(18-27,21-28)26-14-8-3-9-15-26;1-32(2,3)31-22-28(25-13-7-4-8-14-25)19-29(23-31,26-15-9-5-10-16-26)21-30(20-28,24-31)27-17-11-6-12-18-27/h1-30H,31-36H2;1-15H,16-23H2;4-18H,19-24H2,1-3H3
InChIKeyICYNKWXSFNICLV-UHFFFAOYSA-N
XLogP26.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001570.23
LogP ≤ 526.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-(2,2,4,4,4-pentafluorobutyl)-3,5,7-triphenyladamantane;trimethyl-(3,5,7-triphenyl-1-adamantyl)silane;triphenyl-(3,5,7-triphenyl-1-adamantyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl-phenyl-(3-phenyl-1-bicyclo[1.1.1]pentanyl)silane
CID 154717529
1-methyl-3,5,7-triphenyladamantane
CID 20728636
trimethyl-[1-(1-triphenylsilylcyclopropyl)cyclopropyl]silane
CID 11395834
1,3,5,7-tetrakis[4-(2-phenylethynyl)phenyl]adamantane;tetrakis[4-(2-phenylethynyl)phenyl]silane
CID 158134205
2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol
CID 15579859
dimethyl-phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]silane
CID 154717065
(1,2,2,3,3,4,4-heptakis-phenylcyclopentyl)-triphenylsilane
CID 141038980
3-[dimethyl(phenyl)silyl]bicyclo[1.1.1]pentan-1-ol
CID 154717335
[2-[dimethyl(phenyl)silyl]-1,1,2,2-tetrafluoroethyl]-dimethyl-phenylsilane
CID 10926773
[3-(4-chlorophenyl)-1-bicyclo[1.1.1]pentanyl]-fluoro-dimethylsilane
CID 154717531
diphenyl-bis(trifluoromethyl)silane
CID 13186519
1,1'-biphenyl;1,1,1,3,3,3-hexafluoropropane
CID 160611657

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,4,4,4-pentafluorobutyl)-3,5,7-triphenyladamantane;trimethyl-(3,5,7-triphenyl-1-adamantyl)silane;triphenyl-(3,5,7-triphenyl-1-adamantyl)silane?
The IUPAC name of 1-(2,2,4,4,4-pentafluorobutyl)-3,5,7-triphenyladamantane;trimethyl-(3,5,7-triphenyl-1-adamantyl)silane;triphenyl-(3,5,7-triphenyl-1-adamantyl)silane (CID 158662711) is 1-(2,2,4,4,4-pentafluorobutyl)-3,5,7-triphenyladamantane;trimethyl-(3,5,7-triphenyl-1-adamantyl)silane;triphenyl-(3,5,7-triphenyl-1-adamantyl)silane.
What is the SMILES notation for 1-(2,2,4,4,4-pentafluorobutyl)-3,5,7-triphenyladamantane;trimethyl-(3,5,7-triphenyl-1-adamantyl)silane;triphenyl-(3,5,7-triphenyl-1-adamantyl)silane?
The canonical SMILES for 1-(2,2,4,4,4-pentafluorobutyl)-3,5,7-triphenyladamantane;trimethyl-(3,5,7-triphenyl-1-adamantyl)silane;triphenyl-(3,5,7-triphenyl-1-adamantyl)silane is C[Si](C)(C)C12CC3(c4ccccc4)CC(c4ccccc4)(CC(c4ccccc4)(C3)C1)C2.FC(F)(F)CC(F)(F)CC12CC3(c4ccccc4)CC(c4ccccc4)(C1)CC(c1ccccc1)(C2)C3.c1ccc(C23CC4(c5ccccc5)CC(c5ccccc5)(C2)CC([Si](c2ccccc2)(c2ccccc2)c2ccccc2)(C3)C4)cc1.
What is the InChIKey of 1-(2,2,4,4,4-pentafluorobutyl)-3,5,7-triphenyladamantane;trimethyl-(3,5,7-triphenyl-1-adamantyl)silane;triphenyl-(3,5,7-triphenyl-1-adamantyl)silane?
The InChIKey is ICYNKWXSFNICLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42Si.C32H31F5.C31H36Si/c1-7-19-37(20-8-1)43-31-44(38-21-9-2-10-22-38)33-45(32-43,39-23-11-3-12-24-39)36-46(34-43,35-44)47(40-25-13-4-14-26-40,41-27-15-5-16-28-41)42-29-17-6-18-30-42;33-31(34,23-32(35,36)37)19-27-16-28(24-10-4-1-5-11-24)20-29(17-27,25-12-6-2-7-13-25)22-30(18-27,21-28)26-14-8-3-9-15-26;1-32(2,3)31-22-28(25-13-7-4-8-14-25)19-29(23-31,26-15-9-5-10-16-26)21-30(20-28,24-31)27-17-11-6-12-18-27/h1-30H,31-36H2;1-15H,16-23H2;4-18H,19-24H2,1-3H3.
What are the key properties of 1-(2,2,4,4,4-pentafluorobutyl)-3,5,7-triphenyladamantane;trimethyl-(3,5,7-triphenyl-1-adamantyl)silane;triphenyl-(3,5,7-triphenyl-1-adamantyl)silane?
1-(2,2,4,4,4-pentafluorobutyl)-3,5,7-triphenyladamantane;trimethyl-(3,5,7-triphenyl-1-adamantyl)silane;triphenyl-(3,5,7-triphenyl-1-adamantyl)silane has a molecular weight of 1570.23 g/mol, XLogP of 26.50, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,4,4,4-pentafluorobutyl)-3,5,7-triphenyladamantane;trimethyl-(3,5,7-triphenyl-1-adamantyl)silane;triphenyl-(3,5,7-triphenyl-1-adamantyl)silane is sourced from PubChem (CID 158662711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).