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]

C163H160 — CID 165098944

IUPAC1-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]
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)c1cccc2c1-c1ccccc1C2(C)C.CC(C)(C)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.CC(C)(C)c1cccc2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/3C29H24.4C19H22/c1-28(2,3)25-17-10-18-26-27(25)21-13-6-9-16-24(21)29(26)22-14-7-4-11-19(22)20-12-5-8-15-23(20)29;1-28(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/h3*4-18H,1-3H3;4*6-12H,1-5H3
InChIKeyXZOVADFERRJWFZ-UHFFFAOYSA-N
MW2119.07 g/mol
LogP43.14
Rot. Bonds

About 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]

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] (PubChem CID 165098944) has the molecular formula C163H160 and a molecular weight of 2119.07 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name1-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]
PubChem CID165098944
Molecular FormulaC163H160
Molecular Weight2119.07 g/mol
Exact Mass2117.25
IUPAC Name1-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]
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)c1cccc2c1-c1ccccc1C2(C)C.CC(C)(C)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.CC(C)(C)c1cccc2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/3C29H24.4C19H22/c1-28(2,3)25-17-10-18-26-27(25)21-13-6-9-16-24(21)29(26)22-14-7-4-11-19(22)20-12-5-8-15-23(20)29;1-28(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/h3*4-18H,1-3H3;4*6-12H,1-5H3
InChIKeyXZOVADFERRJWFZ-UHFFFAOYSA-N
XLogP43.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms163
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002119.07
LogP ≤ 543.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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] with MolForge

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Related Compounds

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
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
3,6-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170215490
3,6-ditert-butyl-9,9'-spirobi[fluorene]
CID 156624536
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 170144171
5-tert-butyl-N-[5-tert-butyl-2-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174308725
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
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
2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
CID 174069072
CID 174069072
2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 142508986
2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
CID 151739192

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] 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)c1cccc2c1-c1ccccc1C2(C)C.CC(C)(C)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.CC(C)(C)c1cccc2c1C(C)(C)c1ccccc1-2.
What is the InChIKey of 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]?
The InChIKey is XZOVADFERRJWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C29H24.4C19H22/c1-28(2,3)25-17-10-18-26-27(25)21-13-6-9-16-24(21)29(26)22-14-7-4-11-19(22)20-12-5-8-15-23(20)29;1-28(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/h3*4-18H,1-3H3;4*6-12H,1-5H3.
What are the key properties of 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]?
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] has a molecular weight of 2119.07 g/mol, XLogP of 43.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 165098944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).