2,6-bis(4-tert-butylphenyl)-4,4-diphenylthiopyran

C37H38S — CID 10436533

IUPAC2,6-bis(4-tert-butylphenyl)-4,4-diphenylthiopyran
SMILESCC(C)(C)c1ccc(C2=CC(c3ccccc3)(c3ccccc3)C=C(c3ccc(C(C)(C)C)cc3)S2)cc1
InChIInChI=1S/C37H38S/c1-35(2,3)29-21-17-27(18-22-29)33-25-37(31-13-9-7-10-14-31,32-15-11-8-12-16-32)26-34(38-33)28-19-23-30(24-20-28)36(4,5)6/h7-26H,1-6H3
InChIKeyFSCOWGPPIHLREP-UHFFFAOYSA-N
MW514.78 g/mol
LogP10.40
Rot. Bonds4

About 2,6-bis(4-tert-butylphenyl)-4,4-diphenylthiopyran

2,6-bis(4-tert-butylphenyl)-4,4-diphenylthiopyran (PubChem CID 10436533) has the molecular formula C37H38S and a molecular weight of 514.78 g/mol. Its IUPAC name is 2,6-bis(4-tert-butylphenyl)-4,4-diphenylthiopyran.

Molecular Properties

Compound Name2,6-bis(4-tert-butylphenyl)-4,4-diphenylthiopyran
PubChem CID10436533
Molecular FormulaC37H38S
Molecular Weight514.78 g/mol
Exact Mass514.27
IUPAC Name2,6-bis(4-tert-butylphenyl)-4,4-diphenylthiopyran
SMILESCC(C)(C)c1ccc(C2=CC(c3ccccc3)(c3ccccc3)C=C(c3ccc(C(C)(C)C)cc3)S2)cc1
InChIInChI=1S/C37H38S/c1-35(2,3)29-21-17-27(18-22-29)33-25-37(31-13-9-7-10-14-31,32-15-11-8-12-16-32)26-34(38-33)28-19-23-30(24-20-28)36(4,5)6/h7-26H,1-6H3
InChIKeyFSCOWGPPIHLREP-UHFFFAOYSA-N
XLogP10.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.78
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930
CID 171375456
CID 171375456
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
1-tert-butyl-4-phenylbenzene;sulfuryl dichloride
CID 174793677
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
tert-butylbenzene;molecular nitrogen
CID 146464751
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
tert-butylbenzene;chloromethane;ethane
CID 91149652
tris(tert-butylbenzene);ethane;toluene
CID 158234120
N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline
CID 70891344
tert-butylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-(4-phenylphenyl)benzene;1-tert-butyl-4-(3-phenylphenyl)benzene;1-tert-butyl-4-(4-phenylphenyl)benzene;1,4-ditert-butylbenzene
CID 162095144

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-tert-butylphenyl)-4,4-diphenylthiopyran?
The IUPAC name of 2,6-bis(4-tert-butylphenyl)-4,4-diphenylthiopyran (CID 10436533) is 2,6-bis(4-tert-butylphenyl)-4,4-diphenylthiopyran.
What is the SMILES notation for 2,6-bis(4-tert-butylphenyl)-4,4-diphenylthiopyran?
The canonical SMILES for 2,6-bis(4-tert-butylphenyl)-4,4-diphenylthiopyran is CC(C)(C)c1ccc(C2=CC(c3ccccc3)(c3ccccc3)C=C(c3ccc(C(C)(C)C)cc3)S2)cc1.
What is the InChIKey of 2,6-bis(4-tert-butylphenyl)-4,4-diphenylthiopyran?
The InChIKey is FSCOWGPPIHLREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38S/c1-35(2,3)29-21-17-27(18-22-29)33-25-37(31-13-9-7-10-14-31,32-15-11-8-12-16-32)26-34(38-33)28-19-23-30(24-20-28)36(4,5)6/h7-26H,1-6H3.
What are the key properties of 2,6-bis(4-tert-butylphenyl)-4,4-diphenylthiopyran?
2,6-bis(4-tert-butylphenyl)-4,4-diphenylthiopyran has a molecular weight of 514.78 g/mol, XLogP of 10.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-tert-butylphenyl)-4,4-diphenylthiopyran is sourced from PubChem (CID 10436533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).