3,6-ditert-butyl-9,9'-spirobi[fluorene]

C33H32 — CID 156624536

IUPAC3,6-ditert-butyl-9,9'-spirobi[fluorene]
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C33H32/c1-31(2,3)21-15-17-29-25(19-21)26-20-22(32(4,5)6)16-18-30(26)33(29)27-13-9-7-11-23(27)24-12-8-10-14-28(24)33/h7-20H,1-6H3
InChIKeyIRYIRCLYRXZIQZ-UHFFFAOYSA-N
MW428.62 g/mol
LogP8.63
Rot. Bonds

About 3,6-ditert-butyl-9,9'-spirobi[fluorene]

3,6-ditert-butyl-9,9'-spirobi[fluorene] (PubChem CID 156624536) has the molecular formula C33H32 and a molecular weight of 428.62 g/mol. Its IUPAC name is 3,6-ditert-butyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name3,6-ditert-butyl-9,9'-spirobi[fluorene]
PubChem CID156624536
Molecular FormulaC33H32
Molecular Weight428.62 g/mol
Exact Mass428.25
IUPAC Name3,6-ditert-butyl-9,9'-spirobi[fluorene]
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C33H32/c1-31(2,3)21-15-17-29-25(19-21)26-20-22(32(4,5)6)16-18-30(26)33(29)27-13-9-7-11-23(27)24-12-8-10-14-28(24)33/h7-20H,1-6H3
InChIKeyIRYIRCLYRXZIQZ-UHFFFAOYSA-N
XLogP8.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
CID 151739192
3-tert-butylspiro[9H-anthracene-10,9'-fluorene]
CID 175918743
CID 174069072
CID 174069072
9,9-bis(2-tert-butylphenyl)fluorene
CID 155616112
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
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
2,10-ditert-butyltetraphenylene
CID 159208403
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[fluorene-9,9'-xanthene]
CID 90153663
4,11,18-tritert-butyl-8,14-bis(9,9'-spirobi[fluorene]-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 164715455
CID 156687680
CID 156687680

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9,9'-spirobi[fluorene]?
The IUPAC name of 3,6-ditert-butyl-9,9'-spirobi[fluorene] (CID 156624536) is 3,6-ditert-butyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 3,6-ditert-butyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 3,6-ditert-butyl-9,9'-spirobi[fluorene] is CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 3,6-ditert-butyl-9,9'-spirobi[fluorene]?
The InChIKey is IRYIRCLYRXZIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32/c1-31(2,3)21-15-17-29-25(19-21)26-20-22(32(4,5)6)16-18-30(26)33(29)27-13-9-7-11-23(27)24-12-8-10-14-28(24)33/h7-20H,1-6H3.
What are the key properties of 3,6-ditert-butyl-9,9'-spirobi[fluorene]?
3,6-ditert-butyl-9,9'-spirobi[fluorene] has a molecular weight of 428.62 g/mol, XLogP of 8.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 156624536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).