tert-butylbenzene;1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene

C186H196O4S4 — CID 159707731

IUPACtert-butylbenzene;1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene
SMILESCC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc2c(c1)oc1ccccc12.CC(C)(C)c1ccc2c(c1)sc1ccccc12.CC(C)(C)c1ccc2oc3ccccc3c2c1.CC(C)(C)c1ccc2sc3ccccc3c2c1.CC(C)(C)c1cccc(-c2ccccc2)c1.CC(C)(C)c1cccc2c1oc1ccccc12.CC(C)(C)c1cccc2c1sc1ccccc12.CC(C)(C)c1cccc2oc3ccccc3c12.CC(C)(C)c1cccc2sc3ccccc3c12.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1-c1ccccc1
InChIInChI=1S/4C16H16O.4C16H16S.3C16H18.C10H14/c1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-16(2,3)12-8-6-10-14-15(12)11-7-4-5-9-13(11)17-14;1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15;1-16(2,3)11-8-9-13-12-6-4-5-7-14(12)17-15(13)10-11;1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-16(2,3)12-8-6-10-14-15(12)11-7-4-5-9-13(11)17-14;1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15;1-16(2,3)11-8-9-13-12-6-4-5-7-14(12)17-15(13)10-11;1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;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;1-10(2,3)9-7-5-4-6-8-9/h8*4-10H,1-3H3;3*4-12H,1-3H3;4-8H,1-3H3
InChIKeyMYKXYXYUXBCBAZ-UHFFFAOYSA-N
MW2623.88 g/mol
LogP57.88
Rot. Bonds3

About tert-butylbenzene;1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene

tert-butylbenzene;1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene (PubChem CID 159707731) has the molecular formula C186H196O4S4 and a molecular weight of 2623.88 g/mol. Its IUPAC name is tert-butylbenzene;1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene.

Molecular Properties

Compound Nametert-butylbenzene;1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene
PubChem CID159707731
Molecular FormulaC186H196O4S4
Molecular Weight2623.88 g/mol
Exact Mass2621.40
IUPAC Nametert-butylbenzene;1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene
SMILESCC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc2c(c1)oc1ccccc12.CC(C)(C)c1ccc2c(c1)sc1ccccc12.CC(C)(C)c1ccc2oc3ccccc3c2c1.CC(C)(C)c1ccc2sc3ccccc3c2c1.CC(C)(C)c1cccc(-c2ccccc2)c1.CC(C)(C)c1cccc2c1oc1ccccc12.CC(C)(C)c1cccc2c1sc1ccccc12.CC(C)(C)c1cccc2oc3ccccc3c12.CC(C)(C)c1cccc2sc3ccccc3c12.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1-c1ccccc1
InChIInChI=1S/4C16H16O.4C16H16S.3C16H18.C10H14/c1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-16(2,3)12-8-6-10-14-15(12)11-7-4-5-9-13(11)17-14;1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15;1-16(2,3)11-8-9-13-12-6-4-5-7-14(12)17-15(13)10-11;1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-16(2,3)12-8-6-10-14-15(12)11-7-4-5-9-13(11)17-14;1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15;1-16(2,3)11-8-9-13-12-6-4-5-7-14(12)17-15(13)10-11;1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;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;1-10(2,3)9-7-5-4-6-8-9/h8*4-10H,1-3H3;3*4-12H,1-3H3;4-8H,1-3H3
InChIKeyMYKXYXYUXBCBAZ-UHFFFAOYSA-N
XLogP57.88
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms194
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002623.88
LogP ≤ 557.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butylbenzene;1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene with MolForge

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Related Compounds

1-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene
CID 163769384
1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;6-tert-butylnaphtho[2,1-b][1]benzofuran;6-tert-butylnaphtho[2,1-b][1]benzothiole;4-tert-butyl-1-phenyldibenzofuran;4-tert-butyl-1-phenyldibenzothiophene
CID 160869502
1-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butylnaphthalene;bis(1-tert-butyl-2-phenylbenzene);tris(1-tert-butyl-3-phenylbenzene);bis(1-tert-butyl-4-phenylbenzene)
CID 165040685
1-tert-butyl-6-phenyldibenzofuran;1-tert-butyl-7-phenyldibenzofuran;2-tert-butyl-6-phenyldibenzofuran;2-tert-butyl-7-phenyldibenzofuran;3-tert-butyl-7-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran
CID 165019061
6-tert-butyl-[1]benzofuro[2,3-b]pyridine;4-tert-butyl-6-phenyldibenzofuran;6-tert-butyl-1-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran;4-tert-butyl-6-phenyldibenzothiophene;6-tert-butyl-1-phenyldibenzothiophene;6-tert-butyl-2-phenyldibenzothiophene;6-tert-butyl-3-phenyldibenzothiophene;methane
CID 158591449
1-tert-butylnaphtho[2,3-b][1]benzofuran;8-tert-butylnaphtho[2,1-b][1]benzofuran;9-tert-butylnaphtho[2,1-b][1]benzofuran;1-tert-butylnaphtho[2,3-b][1]benzothiole;2-tert-butylnaphtho[2,3-b][1]benzothiole;3-tert-butylnaphtho[2,3-b][1]benzothiole;4-tert-butylnaphtho[2,3-b][1]benzothiole;8-tert-butylnaphtho[2,1-b][1]benzothiole;9-tert-butylnaphtho[2,1-b][1]benzothiole
CID 159824565
6-tert-butyl-2-[7-(5-dibenzothiophen-2-yl-2,5-dimethylhexan-2-yl)dibenzothiophen-1-yl]dibenzofuran
CID 170073956
1-tert-butyl-2,4-diphenylbenzene;2-(3-tert-butylphenyl)dibenzofuran;2-(4-tert-butylphenyl)dibenzofuran;3-(3-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzofuran;4-(4-tert-butylphenyl)dibenzofuran
CID 160962612
1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene]
CID 163986490
1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene]
CID 164990241
2-dibenzofuran-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 163712532
2,8-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran;1,9-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;1-(4-dibenzofuran-3-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)dibenzofuran
CID 165009748

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene?
The IUPAC name of tert-butylbenzene;1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene (CID 159707731) is tert-butylbenzene;1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene.
What is the SMILES notation for tert-butylbenzene;1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene?
The canonical SMILES for tert-butylbenzene;1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene is CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc2c(c1)oc1ccccc12.CC(C)(C)c1ccc2c(c1)sc1ccccc12.CC(C)(C)c1ccc2oc3ccccc3c2c1.CC(C)(C)c1ccc2sc3ccccc3c2c1.CC(C)(C)c1cccc(-c2ccccc2)c1.CC(C)(C)c1cccc2c1oc1ccccc12.CC(C)(C)c1cccc2c1sc1ccccc12.CC(C)(C)c1cccc2oc3ccccc3c12.CC(C)(C)c1cccc2sc3ccccc3c12.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1-c1ccccc1.
What is the InChIKey of tert-butylbenzene;1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene?
The InChIKey is MYKXYXYUXBCBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H16O.4C16H16S.3C16H18.C10H14/c1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-16(2,3)12-8-6-10-14-15(12)11-7-4-5-9-13(11)17-14;1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15;1-16(2,3)11-8-9-13-12-6-4-5-7-14(12)17-15(13)10-11;1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-16(2,3)12-8-6-10-14-15(12)11-7-4-5-9-13(11)17-14;1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15;1-16(2,3)11-8-9-13-12-6-4-5-7-14(12)17-15(13)10-11;1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;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;1-10(2,3)9-7-5-4-6-8-9/h8*4-10H,1-3H3;3*4-12H,1-3H3;4-8H,1-3H3.
What are the key properties of tert-butylbenzene;1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene?
tert-butylbenzene;1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene has a molecular weight of 2623.88 g/mol, XLogP of 57.88, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene is sourced from PubChem (CID 159707731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).