2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane

C42H60 — CID 167665331

IUPAC2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
SMILESCC.CC.CC.CC.CC(C)(C)C.CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C29H24.C5H12.4C2H6/c1-28(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;1-5(2,3)4;4*1-2/h4-18H,1-3H3;1-4H3;4*1-2H3
InChIKeySOBFTHUDAXGUMG-UHFFFAOYSA-N
MW564.94 g/mol
LogP13.48
Rot. Bonds

About 2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane

2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane (PubChem CID 167665331) has the molecular formula C42H60 and a molecular weight of 564.94 g/mol. Its IUPAC name is 2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane.

Molecular Properties

Compound Name2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
PubChem CID167665331
Molecular FormulaC42H60
Molecular Weight564.94 g/mol
Exact Mass564.47
IUPAC Name2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
SMILESCC.CC.CC.CC.CC(C)(C)C.CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C29H24.C5H12.4C2H6/c1-28(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;1-5(2,3)4;4*1-2/h4-18H,1-3H3;1-4H3;4*1-2H3
InChIKeySOBFTHUDAXGUMG-UHFFFAOYSA-N
XLogP13.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.94
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
CID 151739192
3,6-ditert-butyl-9,9'-spirobi[fluorene]
CID 156624536
CID 174069072
CID 174069072
9'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 153288141
2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663
3-tert-butylspiro[9H-anthracene-10,9'-fluorene]
CID 175918743
CID 156687680
CID 156687680
2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
CID 10055798
2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene]
CID 156896533
2-(2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153287761
2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene
CID 177127900
2'-bromo-3'-[(1Z)-buta-1,3-dienyl]-2,7-ditert-butylspiro[fluorene-9,1'-indene]
CID 142508933

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane?
The IUPAC name of 2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane (CID 167665331) is 2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane.
What is the SMILES notation for 2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane?
The canonical SMILES for 2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane is CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of 2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane?
The InChIKey is SOBFTHUDAXGUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24.C5H12.4C2H6/c1-28(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;1-5(2,3)4;4*1-2/h4-18H,1-3H3;1-4H3;4*1-2H3.
What are the key properties of 2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane?
2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane has a molecular weight of 564.94 g/mol, XLogP of 13.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane is sourced from PubChem (CID 167665331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).