2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene

C54H48O — CID 177127900

IUPAC2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccccc4-c4ccc5c(c4)C(C)(C)c4ccccc4O5)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C54H48O/c1-51(2,3)35-23-26-41-42-27-24-36(52(4,5)6)32-47(42)54(46(41)31-35)43-18-12-11-17-39(43)40-25-21-33(29-45(40)54)37-15-9-10-16-38(37)34-22-28-50-48(30-34)53(7,8)44-19-13-14-20-49(44)55-50/h9-32H,1-8H3
InChIKeyQKQIUBIECRJIIH-UHFFFAOYSA-N
MW712.98 g/mol
LogP14.39
Rot. Bonds2

About 2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene

2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene (PubChem CID 177127900) has the molecular formula C54H48O and a molecular weight of 712.98 g/mol. Its IUPAC name is 2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene.

Molecular Properties

Compound Name2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene
PubChem CID177127900
Molecular FormulaC54H48O
Molecular Weight712.98 g/mol
Exact Mass712.37
IUPAC Name2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccccc4-c4ccc5c(c4)C(C)(C)c4ccccc4O5)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C54H48O/c1-51(2,3)35-23-26-41-42-27-24-36(52(4,5)6)32-47(42)54(46(41)31-35)43-18-12-11-17-39(43)40-25-21-33(29-45(40)54)37-15-9-10-16-38(37)34-22-28-50-48(30-34)53(7,8)44-19-13-14-20-49(44)55-50/h9-32H,1-8H3
InChIKeyQKQIUBIECRJIIH-UHFFFAOYSA-N
XLogP14.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.98
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663
9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene
CID 170017622
2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene
CID 170018311
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
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174279588
9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene
CID 170032976
9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
CID 177127137
2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 174281956
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-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
2'-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]spiro[fluorene-9,9'-xanthene]
CID 170037301
2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene?
The IUPAC name of 2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene (CID 177127900) is 2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene.
What is the SMILES notation for 2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene?
The canonical SMILES for 2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccccc4-c4ccc5c(c4)C(C)(C)c4ccccc4O5)cc31)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene?
The InChIKey is QKQIUBIECRJIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48O/c1-51(2,3)35-23-26-41-42-27-24-36(52(4,5)6)32-47(42)54(46(41)31-35)43-18-12-11-17-39(43)40-25-21-33(29-45(40)54)37-15-9-10-16-38(37)34-22-28-50-48(30-34)53(7,8)44-19-13-14-20-49(44)55-50/h9-32H,1-8H3.
What are the key properties of 2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene?
2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene has a molecular weight of 712.98 g/mol, XLogP of 14.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene is sourced from PubChem (CID 177127900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).