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

C23H26 — CID 142588815

IUPAC1-tert-butyl-2,4-diphenylbenzene;methane
SMILESC.CC(C)(C)c1ccc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C22H22.CH4/c1-22(2,3)21-15-14-19(17-10-6-4-7-11-17)16-20(21)18-12-8-5-9-13-18;/h4-16H,1-3H3;1H4
InChIKeyDGEPCXXOCVRGDF-UHFFFAOYSA-N
MW302.46 g/mol
LogP6.95
Rot. Bonds2

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

1-tert-butyl-2,4-diphenylbenzene;methane (PubChem CID 142588815) has the molecular formula C23H26 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-tert-butyl-2,4-diphenylbenzene;methane.

Molecular Properties

Compound Name1-tert-butyl-2,4-diphenylbenzene;methane
PubChem CID142588815
Molecular FormulaC23H26
Molecular Weight302.46 g/mol
Exact Mass302.20
IUPAC Name1-tert-butyl-2,4-diphenylbenzene;methane
SMILESC.CC(C)(C)c1ccc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C22H22.CH4/c1-22(2,3)21-15-14-19(17-10-6-4-7-11-17)16-20(21)18-12-8-5-9-13-18;/h4-16H,1-3H3;1H4
InChIKeyDGEPCXXOCVRGDF-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
CID 141427914
5-[4-tert-butyl-3-(4-phenylphenyl)phenyl]-1H-1,2,4-triazole
CID 150662975
4-tert-butyl-3-phenylbenzonitrile
CID 90264086
1,2-bis(2,4-ditert-butylphenyl)-4-phenylbenzene
CID 141103881
1,4-ditert-butyl-2-(2-phenylphenyl)benzene
CID 174563257
1-bromo-2-tert-butyl-4-phenylbenzene
CID 166064936
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,2,4-triphenylbenzene
CID 518325
1,2-ditert-butyl-3-(4-phenylphenyl)benzene
CID 19802295
2,5-ditert-butyl-4-phenylphenol
CID 14592702
2-[3,5-di(tetraphenylen-2-yl)phenyl]tetraphenylene;N-phenyl-N-[4-[4-(N-tetraphenylen-2-ylanilino)phenyl]phenyl]tetraphenylen-2-amine;N-phenyl-N-tetraphenylen-2-yltetraphenylen-2-amine;2,7,10,15-tetratert-butyl-3,6,11,14-tetraphenyltetraphenylene;2-tetraphenylen-2-yltetraphenylene;2,7,10,15-tetraphenyltetraphenylene
CID 159012550

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,4-diphenylbenzene;methane?
The IUPAC name of 1-tert-butyl-2,4-diphenylbenzene;methane (CID 142588815) is 1-tert-butyl-2,4-diphenylbenzene;methane.
What is the SMILES notation for 1-tert-butyl-2,4-diphenylbenzene;methane?
The canonical SMILES for 1-tert-butyl-2,4-diphenylbenzene;methane is C.CC(C)(C)c1ccc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 1-tert-butyl-2,4-diphenylbenzene;methane?
The InChIKey is DGEPCXXOCVRGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22.CH4/c1-22(2,3)21-15-14-19(17-10-6-4-7-11-17)16-20(21)18-12-8-5-9-13-18;/h4-16H,1-3H3;1H4.
What are the key properties of 1-tert-butyl-2,4-diphenylbenzene;methane?
1-tert-butyl-2,4-diphenylbenzene;methane has a molecular weight of 302.46 g/mol, XLogP of 6.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,4-diphenylbenzene;methane is sourced from PubChem (CID 142588815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).