1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene]

C198H200S4 — CID 157336148

IUPAC1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene]
SMILESCC(C)(C)c1ccc2c(c1)-c1ccccc1C2(C)C.CC(C)(C)c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.CC(C)(C)c1ccc2c(c1)C(C)(C)c1ccccc1-2.CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.CC(C)(C)c1ccc2c(c1)sc1ccccc12.CC(C)(C)c1ccc2sc3ccccc3c2c1.CC(C)(C)c1cccc2c1-c1ccccc1C2(C)C.CC(C)(C)c1cccc2c1C(C)(C)c1ccccc1-2.CC(C)(C)c1cccc2c1sc1ccccc12.CC(C)(C)c1cccc2sc3ccccc3c12
InChIInChI=1S/2C29H24.4C19H22.4C16H16S/c1-28(2,3)19-16-17-27-23(18-19)22-12-6-9-15-26(22)29(27)24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-28(2,3)19-16-17-23-22-12-6-9-15-26(22)29(27(23)18-19)24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-18(2,3)16-12-8-10-14-13-9-6-7-11-15(13)19(4,5)17(14)16;1-18(2,3)15-11-8-12-16-17(15)13-9-6-7-10-14(13)19(16,4)5;1-18(2,3)13-10-11-17-15(12-13)14-8-6-7-9-16(14)19(17,4)5;1-18(2,3)13-10-11-15-14-8-6-7-9-16(14)19(4,5)17(15)12-13;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/h2*4-18H,1-3H3;4*6-12H,1-5H3;4*4-10H,1-3H3
InChIKeyBFVYHNLLLMQGEG-UHFFFAOYSA-N
MW2708.05 g/mol
LogP57.22
Rot. Bonds

About 1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene]

1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene] (PubChem CID 157336148) has the molecular formula C198H200S4 and a molecular weight of 2708.05 g/mol. Its IUPAC name is 1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene]
PubChem CID157336148
Molecular FormulaC198H200S4
Molecular Weight2708.05 g/mol
Exact Mass2705.45
IUPAC Name1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene]
SMILESCC(C)(C)c1ccc2c(c1)-c1ccccc1C2(C)C.CC(C)(C)c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.CC(C)(C)c1ccc2c(c1)C(C)(C)c1ccccc1-2.CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.CC(C)(C)c1ccc2c(c1)sc1ccccc12.CC(C)(C)c1ccc2sc3ccccc3c2c1.CC(C)(C)c1cccc2c1-c1ccccc1C2(C)C.CC(C)(C)c1cccc2c1C(C)(C)c1ccccc1-2.CC(C)(C)c1cccc2c1sc1ccccc12.CC(C)(C)c1cccc2sc3ccccc3c12
InChIInChI=1S/2C29H24.4C19H22.4C16H16S/c1-28(2,3)19-16-17-27-23(18-19)22-12-6-9-15-26(22)29(27)24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-28(2,3)19-16-17-23-22-12-6-9-15-26(22)29(27(23)18-19)24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-18(2,3)16-12-8-10-14-13-9-6-7-11-15(13)19(4,5)17(14)16;1-18(2,3)15-11-8-12-16-17(15)13-9-6-7-10-14(13)19(16,4)5;1-18(2,3)13-10-11-17-15(12-13)14-8-6-7-9-16(14)19(17,4)5;1-18(2,3)13-10-11-15-14-8-6-7-9-16(14)19(4,5)17(15)12-13;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/h2*4-18H,1-3H3;4*6-12H,1-5H3;4*4-10H,1-3H3
InChIKeyBFVYHNLLLMQGEG-UHFFFAOYSA-N
XLogP57.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms202
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002708.05
LogP ≤ 557.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene]
CID 165098944
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
1,5-ditert-butyl-9,9-dimethylfluorene;1,6-ditert-butyl-9,9-dimethylfluorene;1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butyl-9,9-dimethylfluorene
CID 158121103
6-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine
CID 174315832
1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,6-ditert-butyl-9,9-dimethylfluorene;2,7-ditert-butyl-9,9-dimethylfluorene;3,6-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butylphenanthrene;2,6-ditert-butylphenanthrene;2,9-ditert-butylphenanthrene;3,9-ditert-butylphenanthrene
CID 159615865
8-tert-butyl-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-spiro[benzo[b]fluorene-11,9'-fluorene]-3-yldibenzothiophen-3-amine
CID 168801844
2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174286114
1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;8-tert-butyl-7,7-dimethylbenzo[c]fluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;3-tert-butyl-9-methylcarbazole;4-tert-butyl-9-methylcarbazole
CID 159415420
7-tert-butyl-N-[2-(6-tert-butyldibenzothiophen-4-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174315922
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzothiol-6-amine
CID 171444456
12,12-dimethylfluoreno[2,1-b][1]benzothiole
CID 164804096

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene]?
The IUPAC name of 1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene] (CID 157336148) is 1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene] is CC(C)(C)c1ccc2c(c1)-c1ccccc1C2(C)C.CC(C)(C)c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.CC(C)(C)c1ccc2c(c1)C(C)(C)c1ccccc1-2.CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.CC(C)(C)c1ccc2c(c1)sc1ccccc12.CC(C)(C)c1ccc2sc3ccccc3c2c1.CC(C)(C)c1cccc2c1-c1ccccc1C2(C)C.CC(C)(C)c1cccc2c1C(C)(C)c1ccccc1-2.CC(C)(C)c1cccc2c1sc1ccccc12.CC(C)(C)c1cccc2sc3ccccc3c12.
What is the InChIKey of 1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene]?
The InChIKey is BFVYHNLLLMQGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H24.4C19H22.4C16H16S/c1-28(2,3)19-16-17-27-23(18-19)22-12-6-9-15-26(22)29(27)24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-28(2,3)19-16-17-23-22-12-6-9-15-26(22)29(27(23)18-19)24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-18(2,3)16-12-8-10-14-13-9-6-7-11-15(13)19(4,5)17(14)16;1-18(2,3)15-11-8-12-16-17(15)13-9-6-7-10-14(13)19(16,4)5;1-18(2,3)13-10-11-17-15(12-13)14-8-6-7-9-16(14)19(17,4)5;1-18(2,3)13-10-11-15-14-8-6-7-9-16(14)19(4,5)17(15)12-13;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/h2*4-18H,1-3H3;4*6-12H,1-5H3;4*4-10H,1-3H3.
What are the key properties of 1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene]?
1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene] has a molecular weight of 2708.05 g/mol, XLogP of 57.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 157336148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).