1-tert-butyl-1,3,4-triphenyl-2,5-bis[3-(trifluoromethyl)phenyl]silole

C40H32F6Si — CID 18792498

IUPAC1-tert-butyl-1,3,4-triphenyl-2,5-bis[3-(trifluoromethyl)phenyl]silole
SMILESCC(C)(C)[Si]1(c2ccccc2)C(c2cccc(C(F)(F)F)c2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C40H32F6Si/c1-38(2,3)47(33-23-11-6-12-24-33)36(29-19-13-21-31(25-29)39(41,42)43)34(27-15-7-4-8-16-27)35(28-17-9-5-10-18-28)37(47)30-20-14-22-32(26-30)40(44,45)46/h4-26H,1-3H3
InChIKeyDQHWGJFTVWIRRA-UHFFFAOYSA-N
MW654.77 g/mol
LogP11.49
Rot. Bonds5

About 1-tert-butyl-1,3,4-triphenyl-2,5-bis[3-(trifluoromethyl)phenyl]silole

1-tert-butyl-1,3,4-triphenyl-2,5-bis[3-(trifluoromethyl)phenyl]silole (PubChem CID 18792498) has the molecular formula C40H32F6Si and a molecular weight of 654.77 g/mol. Its IUPAC name is 1-tert-butyl-1,3,4-triphenyl-2,5-bis[3-(trifluoromethyl)phenyl]silole.

Molecular Properties

Compound Name1-tert-butyl-1,3,4-triphenyl-2,5-bis[3-(trifluoromethyl)phenyl]silole
PubChem CID18792498
Molecular FormulaC40H32F6Si
Molecular Weight654.77 g/mol
Exact Mass654.22
IUPAC Name1-tert-butyl-1,3,4-triphenyl-2,5-bis[3-(trifluoromethyl)phenyl]silole
SMILESCC(C)(C)[Si]1(c2ccccc2)C(c2cccc(C(F)(F)F)c2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C40H32F6Si/c1-38(2,3)47(33-23-11-6-12-24-33)36(29-19-13-21-31(25-29)39(41,42)43)34(27-15-7-4-8-16-27)35(28-17-9-5-10-18-28)37(47)30-20-14-22-32(26-30)40(44,45)46/h4-26H,1-3H3
InChIKeyDQHWGJFTVWIRRA-UHFFFAOYSA-N
XLogP11.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.77
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-1,3,4-triphenyl-2,5-bis[2-(trifluoromethyl)phenyl]silole
CID 18792369
2-tert-butyl-6-[1-tert-butyl-5-(6-tert-butyl-2-pyridinyl)-1,3,4-triphenylsilol-2-yl]pyridine
CID 18792355
1-tert-butyl-2,5-bis(2-methylnaphthalen-1-yl)-1,3,4-triphenylsilole
CID 18792374
1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silol-1-yl]ethyl]-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silole
CID 87964675
2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 172876886
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
ethane;bis(trifluoromethylbenzene)
CID 142912000
4-chloro-1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium
CID 23345832
4,5-difluoro-2-[3-(trifluoromethyl)phenyl]benzoic acid
CID 118812821
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1,3,4-triphenyl-2,5-bis[3-(trifluoromethyl)phenyl]silole?
The IUPAC name of 1-tert-butyl-1,3,4-triphenyl-2,5-bis[3-(trifluoromethyl)phenyl]silole (CID 18792498) is 1-tert-butyl-1,3,4-triphenyl-2,5-bis[3-(trifluoromethyl)phenyl]silole.
What is the SMILES notation for 1-tert-butyl-1,3,4-triphenyl-2,5-bis[3-(trifluoromethyl)phenyl]silole?
The canonical SMILES for 1-tert-butyl-1,3,4-triphenyl-2,5-bis[3-(trifluoromethyl)phenyl]silole is CC(C)(C)[Si]1(c2ccccc2)C(c2cccc(C(F)(F)F)c2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-tert-butyl-1,3,4-triphenyl-2,5-bis[3-(trifluoromethyl)phenyl]silole?
The InChIKey is DQHWGJFTVWIRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32F6Si/c1-38(2,3)47(33-23-11-6-12-24-33)36(29-19-13-21-31(25-29)39(41,42)43)34(27-15-7-4-8-16-27)35(28-17-9-5-10-18-28)37(47)30-20-14-22-32(26-30)40(44,45)46/h4-26H,1-3H3.
What are the key properties of 1-tert-butyl-1,3,4-triphenyl-2,5-bis[3-(trifluoromethyl)phenyl]silole?
1-tert-butyl-1,3,4-triphenyl-2,5-bis[3-(trifluoromethyl)phenyl]silole has a molecular weight of 654.77 g/mol, XLogP of 11.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1,3,4-triphenyl-2,5-bis[3-(trifluoromethyl)phenyl]silole is sourced from PubChem (CID 18792498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).