4-tert-butyl-1,2-diphenylbenzene;sulfane

C22H24S — CID 174786417

IUPAC4-tert-butyl-1,2-diphenylbenzene;sulfane
SMILESCC(C)(C)c1ccc(-c2ccccc2)c(-c2ccccc2)c1.S
InChIInChI=1S/C22H22.H2S/c1-22(2,3)19-14-15-20(17-10-6-4-7-11-17)21(16-19)18-12-8-5-9-13-18;/h4-16H,1-3H3;1H2
InChIKeyAQHSTWPSTCQJNL-UHFFFAOYSA-N
MW320.50 g/mol
LogP6.43
Rot. Bonds2

About 4-tert-butyl-1,2-diphenylbenzene;sulfane

4-tert-butyl-1,2-diphenylbenzene;sulfane (PubChem CID 174786417) has the molecular formula C22H24S and a molecular weight of 320.50 g/mol. Its IUPAC name is 4-tert-butyl-1,2-diphenylbenzene;sulfane.

Molecular Properties

Compound Name4-tert-butyl-1,2-diphenylbenzene;sulfane
PubChem CID174786417
Molecular FormulaC22H24S
Molecular Weight320.50 g/mol
Exact Mass320.16
IUPAC Name4-tert-butyl-1,2-diphenylbenzene;sulfane
SMILESCC(C)(C)c1ccc(-c2ccccc2)c(-c2ccccc2)c1.S
InChIInChI=1S/C22H22.H2S/c1-22(2,3)19-14-15-20(17-10-6-4-7-11-17)21(16-19)18-12-8-5-9-13-18;/h4-16H,1-3H3;1H2
InChIKeyAQHSTWPSTCQJNL-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.50
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-ditert-butyl-2-(2-phenylphenyl)benzene
CID 174563257
2,10-ditert-butyltetraphenylene
CID 159208403
1-(4-tert-butyl-2-phenylphenyl)pyrrolidine
CID 168512270
1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene
CID 176866089
9,23-bis(4-tert-butyl-2-phenylphenyl)-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene
CID 170900903
2,7-ditert-butyl-9,9-dimethyl-4-[4-(2-phenylphenyl)phenyl]fluorene
CID 58986957
2,4-bis(5-tert-butyl-2-phenylphenyl)-6-(5-ethenyl-2-phenylphenyl)-1,3,5-triazine
CID 141226985
1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene
CID 140865937
6-tert-butyl-1-(2,3,4,5-tetraphenylphenyl)azulene
CID 12023823
1,2-bis(3-tert-butylphenyl)benzene
CID 164767999
4-tert-butyl-2-nitro-1-phenylbenzene
CID 12541280
2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-phenylphenyl)phenyl]fluorene
CID 58986922

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,2-diphenylbenzene;sulfane?
The IUPAC name of 4-tert-butyl-1,2-diphenylbenzene;sulfane (CID 174786417) is 4-tert-butyl-1,2-diphenylbenzene;sulfane.
What is the SMILES notation for 4-tert-butyl-1,2-diphenylbenzene;sulfane?
The canonical SMILES for 4-tert-butyl-1,2-diphenylbenzene;sulfane is CC(C)(C)c1ccc(-c2ccccc2)c(-c2ccccc2)c1.S.
What is the InChIKey of 4-tert-butyl-1,2-diphenylbenzene;sulfane?
The InChIKey is AQHSTWPSTCQJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22.H2S/c1-22(2,3)19-14-15-20(17-10-6-4-7-11-17)21(16-19)18-12-8-5-9-13-18;/h4-16H,1-3H3;1H2.
What are the key properties of 4-tert-butyl-1,2-diphenylbenzene;sulfane?
4-tert-butyl-1,2-diphenylbenzene;sulfane has a molecular weight of 320.50 g/mol, XLogP of 6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,2-diphenylbenzene;sulfane is sourced from PubChem (CID 174786417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).