1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene;1-tert-butyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzothiophene

C157H146O4S3 — CID 158935638

IUPAC1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene;1-tert-butyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzothiophene
SMILESCC(C)(C)c1c(-c2ccccc2)ccc2c1oc1ccccc12.CC(C)(C)c1c(-c2ccccc2)ccc2c1sc1ccccc12.CC(C)(C)c1c(-c2ccccc2)ccc2oc3ccccc3c12.CC(C)(C)c1c(-c2ccccc2)ccc2sc3ccccc3c12.[2H]c1c([2H])c(-c2ccc3c(oc4ccccc43)c2C(C)(C)C)c([2H])c([2H])c1C.[2H]c1c([2H])c(-c2ccc3c(sc4ccccc43)c2C(C)(C)C)c([2H])c([2H])c1C.[2H]c1c([2H])c(-c2ccc3oc4ccccc4c3c2C(C)(C)C)c([2H])c([2H])c1C
InChIInChI=1S/2C23H22O.C23H22S.2C22H20O.2C22H20S/c1-15-9-11-16(12-10-15)17-13-14-19-18-7-5-6-8-20(18)24-22(19)21(17)23(2,3)4;1-15-9-11-16(12-10-15)17-13-14-20-21(22(17)23(2,3)4)18-7-5-6-8-19(18)24-20;1-15-9-11-16(12-10-15)17-13-14-19-18-7-5-6-8-20(18)24-22(19)21(17)23(2,3)4;1-22(2,3)20-16(15-9-5-4-6-10-15)13-14-18-17-11-7-8-12-19(17)23-21(18)20;1-22(2,3)21-16(15-9-5-4-6-10-15)13-14-19-20(21)17-11-7-8-12-18(17)23-19;1-22(2,3)20-16(15-9-5-4-6-10-15)13-14-18-17-11-7-8-12-19(17)23-21(18)20;1-22(2,3)21-16(15-9-5-4-6-10-15)13-14-19-20(21)17-11-7-8-12-18(17)23-19/h3*5-14H,1-4H3;4*4-14H,1-3H3/i3*9D,10D,11D,12D;;;;
InChIKeyJJPORINUICRWLV-HZXUERADSA-N
MW2205.17 g/mol
LogP48.18
Rot. Bonds7

About 1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene;1-tert-butyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzothiophene

1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene;1-tert-butyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzothiophene (PubChem CID 158935638) has the molecular formula C157H146O4S3 and a molecular weight of 2205.17 g/mol. Its IUPAC name is 1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene;1-tert-butyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzothiophene.

Molecular Properties

Compound Name1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene;1-tert-butyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzothiophene
PubChem CID158935638
Molecular FormulaC157H146O4S3
Molecular Weight2205.17 g/mol
Exact Mass2203.11
IUPAC Name1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene;1-tert-butyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzothiophene
SMILESCC(C)(C)c1c(-c2ccccc2)ccc2c1oc1ccccc12.CC(C)(C)c1c(-c2ccccc2)ccc2c1sc1ccccc12.CC(C)(C)c1c(-c2ccccc2)ccc2oc3ccccc3c12.CC(C)(C)c1c(-c2ccccc2)ccc2sc3ccccc3c12.[2H]c1c([2H])c(-c2ccc3c(oc4ccccc43)c2C(C)(C)C)c([2H])c([2H])c1C.[2H]c1c([2H])c(-c2ccc3c(sc4ccccc43)c2C(C)(C)C)c([2H])c([2H])c1C.[2H]c1c([2H])c(-c2ccc3oc4ccccc4c3c2C(C)(C)C)c([2H])c([2H])c1C
InChIInChI=1S/2C23H22O.C23H22S.2C22H20O.2C22H20S/c1-15-9-11-16(12-10-15)17-13-14-19-18-7-5-6-8-20(18)24-22(19)21(17)23(2,3)4;1-15-9-11-16(12-10-15)17-13-14-20-21(22(17)23(2,3)4)18-7-5-6-8-19(18)24-20;1-15-9-11-16(12-10-15)17-13-14-19-18-7-5-6-8-20(18)24-22(19)21(17)23(2,3)4;1-22(2,3)20-16(15-9-5-4-6-10-15)13-14-18-17-11-7-8-12-19(17)23-21(18)20;1-22(2,3)21-16(15-9-5-4-6-10-15)13-14-19-20(21)17-11-7-8-12-18(17)23-19;1-22(2,3)20-16(15-9-5-4-6-10-15)13-14-18-17-11-7-8-12-19(17)23-21(18)20;1-22(2,3)21-16(15-9-5-4-6-10-15)13-14-19-20(21)17-11-7-8-12-18(17)23-19/h3*5-14H,1-4H3;4*4-14H,1-3H3/i3*9D,10D,11D,12D;;;;
InChIKeyJJPORINUICRWLV-HZXUERADSA-N
XLogP48.18
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms164
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002205.17
LogP ≤ 548.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene;1-tert-butyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzothiophene with MolForge

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Related Compounds

2-tert-butyl-5,19-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene
CID 160942218
1-tert-butyl-2-(6-tert-butyldibenzothiophen-3-yl)dibenzothiophene
CID 138708079
1-tert-butyl-2-(6-tert-butyldibenzofuran-3-yl)dibenzofuran
CID 138707220
1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran;1-(2-tert-butylphenyl)dibenzothiophene;4-(2-tert-butylphenyl)dibenzothiophene;1-(2-tert-butyl-3-phenylphenyl)dibenzothiophene;4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene;1-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]dibenzothiophene;4-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]dibenzothiophene
CID 165089400
4-(2-tert-butyl-3-dibenzothiophen-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzothiophene;1-(2-tert-butylphenyl)dibenzothiophene;4-(2-tert-butylphenyl)dibenzothiophene;4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene;1-(2,3-ditert-butylphenyl)dibenzothiophene;4-(2,3-ditert-butylphenyl)dibenzothiophene
CID 162086898
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
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
1-(2-tert-butyl-3-dibenzofuran-1-ylphenyl)dibenzofuran;4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;bis(1-(2-tert-butyl-3-phenylphenyl)dibenzofuran);bis(4-(2-tert-butyl-3-phenylphenyl)dibenzofuran);bis(1-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]dibenzofuran);bis(4-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]dibenzofuran)
CID 160941710
2-dibenzofuran-4-yl-4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 155077964
2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 159808130
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;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene
CID 163769384

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene;1-tert-butyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzothiophene?
The IUPAC name of 1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene;1-tert-butyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzothiophene (CID 158935638) is 1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene;1-tert-butyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzothiophene.
What is the SMILES notation for 1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene;1-tert-butyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzothiophene?
The canonical SMILES for 1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene;1-tert-butyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzothiophene is CC(C)(C)c1c(-c2ccccc2)ccc2c1oc1ccccc12.CC(C)(C)c1c(-c2ccccc2)ccc2c1sc1ccccc12.CC(C)(C)c1c(-c2ccccc2)ccc2oc3ccccc3c12.CC(C)(C)c1c(-c2ccccc2)ccc2sc3ccccc3c12.[2H]c1c([2H])c(-c2ccc3c(oc4ccccc43)c2C(C)(C)C)c([2H])c([2H])c1C.[2H]c1c([2H])c(-c2ccc3c(sc4ccccc43)c2C(C)(C)C)c([2H])c([2H])c1C.[2H]c1c([2H])c(-c2ccc3oc4ccccc4c3c2C(C)(C)C)c([2H])c([2H])c1C.
What is the InChIKey of 1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene;1-tert-butyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzothiophene?
The InChIKey is JJPORINUICRWLV-HZXUERADSA-N. The full InChI is InChI=1S/2C23H22O.C23H22S.2C22H20O.2C22H20S/c1-15-9-11-16(12-10-15)17-13-14-19-18-7-5-6-8-20(18)24-22(19)21(17)23(2,3)4;1-15-9-11-16(12-10-15)17-13-14-20-21(22(17)23(2,3)4)18-7-5-6-8-19(18)24-20;1-15-9-11-16(12-10-15)17-13-14-19-18-7-5-6-8-20(18)24-22(19)21(17)23(2,3)4;1-22(2,3)20-16(15-9-5-4-6-10-15)13-14-18-17-11-7-8-12-19(17)23-21(18)20;1-22(2,3)21-16(15-9-5-4-6-10-15)13-14-19-20(21)17-11-7-8-12-18(17)23-19;1-22(2,3)20-16(15-9-5-4-6-10-15)13-14-18-17-11-7-8-12-19(17)23-21(18)20;1-22(2,3)21-16(15-9-5-4-6-10-15)13-14-19-20(21)17-11-7-8-12-18(17)23-19/h3*5-14H,1-4H3;4*4-14H,1-3H3/i3*9D,10D,11D,12D;;;;.
What are the key properties of 1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene;1-tert-butyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzothiophene?
1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene;1-tert-butyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzothiophene has a molecular weight of 2205.17 g/mol, XLogP of 48.18, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene;1-tert-butyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzothiophene is sourced from PubChem (CID 158935638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).