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

C144H160 — CID 162095144

IUPACtert-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
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.CC(C)(C)c1ccc(-c2cccc(-c3ccccc3)c2)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1cccc(-c2ccc(-c3ccccc3)cc2)c1.CC(C)(C)c1cccc(-c2cccc(-c3ccccc3)c2)c1.CC(C)(C)c1cccc(-c2ccccc2)c1.CC(C)(C)c1ccccc1
InChIInChI=1S/4C22H22.2C16H18.C14H22.C10H14/c1-22(2,3)21-14-8-13-20(16-21)19-12-7-11-18(15-19)17-9-5-4-6-10-17;1-22(2,3)21-14-12-18(13-15-21)20-11-7-10-19(16-20)17-8-5-4-6-9-17;1-22(2,3)21-11-7-10-20(16-21)19-14-12-18(13-15-19)17-8-5-4-6-9-17;1-22(2,3)21-15-13-20(14-16-21)19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-16(2,3)15-11-7-10-14(12-15)13-8-5-4-6-9-13;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-10(2,3)9-7-5-4-6-8-9/h4*4-16H,1-3H3;2*4-12H,1-3H3;7-10H,1-6H3;4-8H,1-3H3
InChIKeyZEDKRXDZTKNSKU-UHFFFAOYSA-N
MW1890.86 g/mol
LogP41.84
Rot. Bonds10

About 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

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 (PubChem CID 162095144) has the molecular formula C144H160 and a molecular weight of 1890.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID162095144
Molecular FormulaC144H160
Molecular Weight1890.86 g/mol
Exact Mass1889.25
IUPAC Nametert-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
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.CC(C)(C)c1ccc(-c2cccc(-c3ccccc3)c2)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1cccc(-c2ccc(-c3ccccc3)cc2)c1.CC(C)(C)c1cccc(-c2cccc(-c3ccccc3)c2)c1.CC(C)(C)c1cccc(-c2ccccc2)c1.CC(C)(C)c1ccccc1
InChIInChI=1S/4C22H22.2C16H18.C14H22.C10H14/c1-22(2,3)21-14-8-13-20(16-21)19-12-7-11-18(15-19)17-9-5-4-6-10-17;1-22(2,3)21-14-12-18(13-15-21)20-11-7-10-19(16-20)17-8-5-4-6-9-17;1-22(2,3)21-11-7-10-20(16-21)19-14-12-18(13-15-19)17-8-5-4-6-9-17;1-22(2,3)21-15-13-20(14-16-21)19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-16(2,3)15-11-7-10-14(12-15)13-8-5-4-6-9-13;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-10(2,3)9-7-5-4-6-8-9/h4*4-16H,1-3H3;2*4-12H,1-3H3;7-10H,1-6H3;4-8H,1-3H3
InChIKeyZEDKRXDZTKNSKU-UHFFFAOYSA-N
XLogP41.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001890.86
LogP ≤ 541.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 167578783
1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane
CID 159548907
1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene
CID 140865937
2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene
CID 140865935
2-tert-butylchrysene;2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;3-tert-butylpicene
CID 158261275
4-(4-tert-butylphenyl)-14-phenyl-3,5,13,15,28,30-hexazahexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(25),2(30),3,5,7,9,11(29),12,14,16(28),17,19,21(27),22(26),23-pentadecaene
CID 134507698
2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
CID 159502457
1-(3-phenylphenyl)ethane-1,1-diamine
CID 174427406
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.CC(C)(C)c1ccc(-c2cccc(-c3ccccc3)c2)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1cccc(-c2ccc(-c3ccccc3)cc2)c1.CC(C)(C)c1cccc(-c2cccc(-c3ccccc3)c2)c1.CC(C)(C)c1cccc(-c2ccccc2)c1.CC(C)(C)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is ZEDKRXDZTKNSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C22H22.2C16H18.C14H22.C10H14/c1-22(2,3)21-14-8-13-20(16-21)19-12-7-11-18(15-19)17-9-5-4-6-10-17;1-22(2,3)21-14-12-18(13-15-21)20-11-7-10-19(16-20)17-8-5-4-6-9-17;1-22(2,3)21-11-7-10-20(16-21)19-14-12-18(13-15-19)17-8-5-4-6-9-17;1-22(2,3)21-15-13-20(14-16-21)19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-16(2,3)15-11-7-10-14(12-15)13-8-5-4-6-9-13;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-10(2,3)9-7-5-4-6-8-9/h4*4-16H,1-3H3;2*4-12H,1-3H3;7-10H,1-6H3;4-8H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1890.86 g/mol, XLogP of 41.84, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162095144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).