1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzothiophene;1-(2-tert-butylphenyl)dibenzofuran;4-(2-tert-butylphenyl)dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran

C130H124O4S — CID 165087419

IUPAC1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzothiophene;1-(2-tert-butylphenyl)dibenzofuran;4-(2-tert-butylphenyl)dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran
SMILESCC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2c1oc1ccccc12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2oc3ccccc3c12.CC(C)(C)c1cc(-c2cccc3sc4cccc(C(C)(C)C)c4c23)cc(C(C)(C)C)c1.CC(C)(C)c1ccccc1-c1cccc2c1oc1ccccc12.CC(C)(C)c1ccccc1-c1cccc2oc3ccccc3c12
InChIInChI=1S/C30H36S.2C28H24O.2C22H20O/c1-28(2,3)20-16-19(17-21(18-20)29(4,5)6)22-12-10-14-24-26(22)27-23(30(7,8)9)13-11-15-25(27)31-24;1-28(2,3)27-20(19-11-5-4-6-12-19)14-9-16-22(27)21-15-10-18-25-26(21)23-13-7-8-17-24(23)29-25;1-28(2,3)26-20(19-11-5-4-6-12-19)14-9-15-22(26)24-17-10-16-23-21-13-7-8-18-25(21)29-27(23)24;1-22(2,3)19-13-6-4-9-15(19)17-11-8-12-18-16-10-5-7-14-20(16)23-21(17)18;1-22(2,3)18-12-6-4-9-15(18)16-11-8-14-20-21(16)17-10-5-7-13-19(17)23-20/h10-18H,1-9H3;2*4-18H,1-3H3;2*4-14H,1-3H3
InChIKeyWCXWNYSFZBCVEI-UHFFFAOYSA-N
MW1782.48 g/mol
LogP39.15
Rot. Bonds7

About 1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzothiophene;1-(2-tert-butylphenyl)dibenzofuran;4-(2-tert-butylphenyl)dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran

1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzothiophene;1-(2-tert-butylphenyl)dibenzofuran;4-(2-tert-butylphenyl)dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran (PubChem CID 165087419) has the molecular formula C130H124O4S and a molecular weight of 1782.48 g/mol. Its IUPAC name is 1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzothiophene;1-(2-tert-butylphenyl)dibenzofuran;4-(2-tert-butylphenyl)dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran.

Molecular Properties

Compound Name1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzothiophene;1-(2-tert-butylphenyl)dibenzofuran;4-(2-tert-butylphenyl)dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran
PubChem CID165087419
Molecular FormulaC130H124O4S
Molecular Weight1782.48 g/mol
Exact Mass1780.92
IUPAC Name1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzothiophene;1-(2-tert-butylphenyl)dibenzofuran;4-(2-tert-butylphenyl)dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran
SMILESCC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2c1oc1ccccc12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2oc3ccccc3c12.CC(C)(C)c1cc(-c2cccc3sc4cccc(C(C)(C)C)c4c23)cc(C(C)(C)C)c1.CC(C)(C)c1ccccc1-c1cccc2c1oc1ccccc12.CC(C)(C)c1ccccc1-c1cccc2oc3ccccc3c12
InChIInChI=1S/C30H36S.2C28H24O.2C22H20O/c1-28(2,3)20-16-19(17-21(18-20)29(4,5)6)22-12-10-14-24-26(22)27-23(30(7,8)9)13-11-15-25(27)31-24;1-28(2,3)27-20(19-11-5-4-6-12-19)14-9-16-22(27)21-15-10-18-25-26(21)23-13-7-8-17-24(23)29-25;1-28(2,3)26-20(19-11-5-4-6-12-19)14-9-15-22(26)24-17-10-16-23-21-13-7-8-18-25(21)29-27(23)24;1-22(2,3)19-13-6-4-9-15(19)17-11-8-12-18-16-10-5-7-14-20(16)23-21(17)18;1-22(2,3)18-12-6-4-9-15(18)16-11-8-14-20-21(16)17-10-5-7-13-19(17)23-20/h10-18H,1-9H3;2*4-18H,1-3H3;2*4-14H,1-3H3
InChIKeyWCXWNYSFZBCVEI-UHFFFAOYSA-N
XLogP39.15
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001782.48
LogP ≤ 539.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzothiophene;1-(2-tert-butylphenyl)dibenzofuran;4-(2-tert-butylphenyl)dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran with MolForge

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Related Compounds

1-tert-butyl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole;1-(2-tert-butylphenyl)-3,5-diphenylbenzene;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1,3-ditert-butyl-5-[3-(2-tert-butylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]benzene
CID 158843150
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
1-(2-tert-butylphenyl)-7-[2-[2-dibenzofuran-4-yl-4-[2-(2-dibenzofuran-1-yl-6-phenylphenyl)-2-methylpropyl]-6-phenylphenyl]-2-methylpropyl]dibenzofuran
CID 167289333
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-(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
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663
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
1-tert-butyl-9-(3,5-ditert-butylphenyl)-2-phenyldibenzofuran
CID 146579029
1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran
CID 146579183
2-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952912
4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran
CID 161275768
N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170301769

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzothiophene;1-(2-tert-butylphenyl)dibenzofuran;4-(2-tert-butylphenyl)dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran?
The IUPAC name of 1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzothiophene;1-(2-tert-butylphenyl)dibenzofuran;4-(2-tert-butylphenyl)dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran (CID 165087419) is 1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzothiophene;1-(2-tert-butylphenyl)dibenzofuran;4-(2-tert-butylphenyl)dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran.
What is the SMILES notation for 1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzothiophene;1-(2-tert-butylphenyl)dibenzofuran;4-(2-tert-butylphenyl)dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran?
The canonical SMILES for 1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzothiophene;1-(2-tert-butylphenyl)dibenzofuran;4-(2-tert-butylphenyl)dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran is CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2c1oc1ccccc12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2oc3ccccc3c12.CC(C)(C)c1cc(-c2cccc3sc4cccc(C(C)(C)C)c4c23)cc(C(C)(C)C)c1.CC(C)(C)c1ccccc1-c1cccc2c1oc1ccccc12.CC(C)(C)c1ccccc1-c1cccc2oc3ccccc3c12.
What is the InChIKey of 1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzothiophene;1-(2-tert-butylphenyl)dibenzofuran;4-(2-tert-butylphenyl)dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran?
The InChIKey is WCXWNYSFZBCVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36S.2C28H24O.2C22H20O/c1-28(2,3)20-16-19(17-21(18-20)29(4,5)6)22-12-10-14-24-26(22)27-23(30(7,8)9)13-11-15-25(27)31-24;1-28(2,3)27-20(19-11-5-4-6-12-19)14-9-16-22(27)21-15-10-18-25-26(21)23-13-7-8-17-24(23)29-25;1-28(2,3)26-20(19-11-5-4-6-12-19)14-9-15-22(26)24-17-10-16-23-21-13-7-8-18-25(21)29-27(23)24;1-22(2,3)19-13-6-4-9-15(19)17-11-8-12-18-16-10-5-7-14-20(16)23-21(17)18;1-22(2,3)18-12-6-4-9-15(18)16-11-8-14-20-21(16)17-10-5-7-13-19(17)23-20/h10-18H,1-9H3;2*4-18H,1-3H3;2*4-14H,1-3H3.
What are the key properties of 1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzothiophene;1-(2-tert-butylphenyl)dibenzofuran;4-(2-tert-butylphenyl)dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran?
1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzothiophene;1-(2-tert-butylphenyl)dibenzofuran;4-(2-tert-butylphenyl)dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran has a molecular weight of 1782.48 g/mol, XLogP of 39.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzothiophene;1-(2-tert-butylphenyl)dibenzofuran;4-(2-tert-butylphenyl)dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran is sourced from PubChem (CID 165087419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).