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

C193H168OS6 — CID 165089400

IUPAC1-[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
SMILESCC(C)(C)c1c(-c2cccc3c2-c2ccccc2C3)cccc1-c1cccc2oc3ccccc3c12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2c1sc1ccccc12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2sc3ccccc3c12.CC(C)(C)c1ccccc1-c1cccc2c1sc1ccccc12.CC(C)(C)c1ccccc1-c1cccc2sc3ccccc3c12.[2H]c1c([2H])c(C)c([2H])c(-c2cccc(-c3cccc4c3sc3ccccc34)c2C(C)(C)C)c1[2H].[2H]c1c([2H])c(C)c([2H])c(-c2cccc(-c3cccc4sc5ccccc5c34)c2C(C)(C)C)c1[2H]
InChIInChI=1S/C35H28O.2C29H26S.2C28H24S.2C22H20S/c1-35(2,3)34-27(25-15-8-12-23-21-22-11-4-5-13-24(22)32(23)25)17-9-18-28(34)26-16-10-20-31-33(26)29-14-6-7-19-30(29)36-31;1-19-10-7-11-20(18-19)21-13-8-15-23(28(21)29(2,3)4)22-14-9-17-26-27(22)24-12-5-6-16-25(24)30-26;1-19-10-7-11-20(18-19)21-13-8-14-23(27(21)29(2,3)4)25-16-9-15-24-22-12-5-6-17-26(22)30-28(24)25;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/h4-20H,21H2,1-3H3;2*5-18H,1-4H3;2*4-18H,1-3H3;2*4-14H,1-3H3/i;2*7D,10D,11D,18D;;;;
InChIKeyWLHDVVWXEUTOPX-CGUCOKGPSA-N
MW2703.92 g/mol
LogP59.19
Rot. Bonds12

About 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

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 (PubChem CID 165089400) has the molecular formula C193H168OS6 and a molecular weight of 2703.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID165089400
Molecular FormulaC193H168OS6
Molecular Weight2703.92 g/mol
Exact Mass2701.19
IUPAC Name1-[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
SMILESCC(C)(C)c1c(-c2cccc3c2-c2ccccc2C3)cccc1-c1cccc2oc3ccccc3c12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2c1sc1ccccc12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2sc3ccccc3c12.CC(C)(C)c1ccccc1-c1cccc2c1sc1ccccc12.CC(C)(C)c1ccccc1-c1cccc2sc3ccccc3c12.[2H]c1c([2H])c(C)c([2H])c(-c2cccc(-c3cccc4c3sc3ccccc34)c2C(C)(C)C)c1[2H].[2H]c1c([2H])c(C)c([2H])c(-c2cccc(-c3cccc4sc5ccccc5c34)c2C(C)(C)C)c1[2H]
InChIInChI=1S/C35H28O.2C29H26S.2C28H24S.2C22H20S/c1-35(2,3)34-27(25-15-8-12-23-21-22-11-4-5-13-24(22)32(23)25)17-9-18-28(34)26-16-10-20-31-33(26)29-14-6-7-19-30(29)36-31;1-19-10-7-11-20(18-19)21-13-8-15-23(28(21)29(2,3)4)22-14-9-17-26-27(22)24-12-5-6-16-25(24)30-26;1-19-10-7-11-20(18-19)21-13-8-14-23(27(21)29(2,3)4)25-16-9-15-24-22-12-5-6-17-26(22)30-28(24)25;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/h4-20H,21H2,1-3H3;2*5-18H,1-4H3;2*4-18H,1-3H3;2*4-14H,1-3H3/i;2*7D,10D,11D,18D;;;;
InChIKeyWLHDVVWXEUTOPX-CGUCOKGPSA-N
XLogP59.19
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms200
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002703.92
LogP ≤ 559.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-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
1-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]dibenzofuran;4-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]dibenzofuran;4-[2-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]dibenzofuran
CID 158026718
4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene
CID 146578977
4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran
CID 161275768
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
1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)-2-phenyldibenzothiophene;1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)-2-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzothiophene;1-tert-butyl-9-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzothiophene
CID 165109798
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-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
1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;1-tert-butyl-2,9-diphenyldibenzofuran;1-tert-butyl-9-phenyldibenzofuran;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;1,2-ditert-butyl-9-phenyldibenzofuran
CID 165096728
1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzofuran;4-tert-butyl-6-(3,5-ditert-butylphenyl)dibenzofuran;4-tert-butyl-6-(3,5-ditert-butylphenyl)dibenzothiophene;1-tert-butyl-9-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzothiophene
CID 165007915
1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzofuran;4-tert-butyl-6-(3,5-ditert-butylphenyl)dibenzofuran;4-tert-butyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophene;1-tert-butyl-9-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzothiophene
CID 159155689

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1c(-c2cccc3c2-c2ccccc2C3)cccc1-c1cccc2oc3ccccc3c12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2c1sc1ccccc12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2sc3ccccc3c12.CC(C)(C)c1ccccc1-c1cccc2c1sc1ccccc12.CC(C)(C)c1ccccc1-c1cccc2sc3ccccc3c12.[2H]c1c([2H])c(C)c([2H])c(-c2cccc(-c3cccc4c3sc3ccccc34)c2C(C)(C)C)c1[2H].[2H]c1c([2H])c(C)c([2H])c(-c2cccc(-c3cccc4sc5ccccc5c34)c2C(C)(C)C)c1[2H].
What is the InChIKey of 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?
The InChIKey is WLHDVVWXEUTOPX-CGUCOKGPSA-N. The full InChI is InChI=1S/C35H28O.2C29H26S.2C28H24S.2C22H20S/c1-35(2,3)34-27(25-15-8-12-23-21-22-11-4-5-13-24(22)32(23)25)17-9-18-28(34)26-16-10-20-31-33(26)29-14-6-7-19-30(29)36-31;1-19-10-7-11-20(18-19)21-13-8-15-23(28(21)29(2,3)4)22-14-9-17-26-27(22)24-12-5-6-16-25(24)30-26;1-19-10-7-11-20(18-19)21-13-8-14-23(27(21)29(2,3)4)25-16-9-15-24-22-12-5-6-17-26(22)30-28(24)25;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/h4-20H,21H2,1-3H3;2*5-18H,1-4H3;2*4-18H,1-3H3;2*4-14H,1-3H3/i;2*7D,10D,11D,18D;;;;.
What are the key properties of 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?
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 has a molecular weight of 2703.92 g/mol, XLogP of 59.19, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165089400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).