2,7-ditert-butylspiro[fluorene-9,9'-xanthene]

C33H32O — CID 90153663

IUPAC2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C33H32O/c1-31(2,3)21-15-17-23-24-18-16-22(32(4,5)6)20-28(24)33(27(23)19-21)25-11-7-9-13-29(25)34-30-14-10-8-12-26(30)33/h7-20H,1-6H3
InChIKeyGHZPAYBZBTVPKH-UHFFFAOYSA-N
MW444.62 g/mol
LogP8.75
Rot. Bonds

About 2,7-ditert-butylspiro[fluorene-9,9'-xanthene]

2,7-ditert-butylspiro[fluorene-9,9'-xanthene] (PubChem CID 90153663) has the molecular formula C33H32O and a molecular weight of 444.62 g/mol. Its IUPAC name is 2,7-ditert-butylspiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
PubChem CID90153663
Molecular FormulaC33H32O
Molecular Weight444.62 g/mol
Exact Mass444.25
IUPAC Name2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C33H32O/c1-31(2,3)21-15-17-23-24-18-16-22(32(4,5)6)20-28(24)33(27(23)19-21)25-11-7-9-13-29(25)34-30-14-10-8-12-26(30)33/h7-20H,1-6H3
InChIKeyGHZPAYBZBTVPKH-UHFFFAOYSA-N
XLogP8.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
CID 118965533
2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene
CID 177127900
2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
CID 118965145
2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
N-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 118446636
2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 174281956
2',7'-ditert-butyl-N,N-bis(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284062
2',7'-ditert-butyl-N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284182
N-(4-tert-butylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90153715
2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174282092
N-[(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)methyl]-N-(9,9-diphenylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 174284982

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butylspiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2,7-ditert-butylspiro[fluorene-9,9'-xanthene] (CID 90153663) is 2,7-ditert-butylspiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2,7-ditert-butylspiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2,7-ditert-butylspiro[fluorene-9,9'-xanthene] is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2,7-ditert-butylspiro[fluorene-9,9'-xanthene]?
The InChIKey is GHZPAYBZBTVPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32O/c1-31(2,3)21-15-17-23-24-18-16-22(32(4,5)6)20-28(24)33(27(23)19-21)25-11-7-9-13-29(25)34-30-14-10-8-12-26(30)33/h7-20H,1-6H3.
What are the key properties of 2,7-ditert-butylspiro[fluorene-9,9'-xanthene]?
2,7-ditert-butylspiro[fluorene-9,9'-xanthene] has a molecular weight of 444.62 g/mol, XLogP of 8.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butylspiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 90153663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).