2'-benzylspiro[fluorene-9,9'-xanthene]

C32H22O — CID 155763670

IUPAC2'-benzylspiro[fluorene-9,9'-xanthene]
SMILESc1ccc(Cc2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C32H22O/c1-2-10-22(11-3-1)20-23-18-19-31-29(21-23)32(28-16-8-9-17-30(28)33-31)26-14-6-4-12-24(26)25-13-5-7-15-27(25)32/h1-19,21H,20H2
InChIKeyHRKMEEPYTGHVHB-UHFFFAOYSA-N
MW422.53 g/mol
LogP7.75
Rot. Bonds2

About 2'-benzylspiro[fluorene-9,9'-xanthene]

2'-benzylspiro[fluorene-9,9'-xanthene] (PubChem CID 155763670) has the molecular formula C32H22O and a molecular weight of 422.53 g/mol. Its IUPAC name is 2'-benzylspiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2'-benzylspiro[fluorene-9,9'-xanthene]
PubChem CID155763670
Molecular FormulaC32H22O
Molecular Weight422.53 g/mol
Exact Mass422.17
IUPAC Name2'-benzylspiro[fluorene-9,9'-xanthene]
SMILESc1ccc(Cc2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C32H22O/c1-2-10-22(11-3-1)20-23-18-19-31-29(21-23)32(28-16-8-9-17-30(28)33-31)26-14-6-4-12-24(26)25-13-5-7-15-27(25)32/h1-19,21H,20H2
InChIKeyHRKMEEPYTGHVHB-UHFFFAOYSA-N
XLogP7.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzylspiro[fluorene-9,9'-xanthene]
CID 155763710
2,4-dimethyl-6-(spiro[fluorene-9,9'-xanthene]-2-ylmethyl)-1,3,5-triazine
CID 170265009
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
boric acid;spiro[fluorene-9,9'-xanthene]
CID 175979012
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
2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene]
CID 166844508
2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]
CID 59096369
2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 137388508
2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907

Frequently Asked Questions

What is the IUPAC name of 2'-benzylspiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2'-benzylspiro[fluorene-9,9'-xanthene] (CID 155763670) is 2'-benzylspiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2'-benzylspiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2'-benzylspiro[fluorene-9,9'-xanthene] is c1ccc(Cc2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2'-benzylspiro[fluorene-9,9'-xanthene]?
The InChIKey is HRKMEEPYTGHVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O/c1-2-10-22(11-3-1)20-23-18-19-31-29(21-23)32(28-16-8-9-17-30(28)33-31)26-14-6-4-12-24(26)25-13-5-7-15-27(25)32/h1-19,21H,20H2.
What are the key properties of 2'-benzylspiro[fluorene-9,9'-xanthene]?
2'-benzylspiro[fluorene-9,9'-xanthene] has a molecular weight of 422.53 g/mol, XLogP of 7.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-benzylspiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 155763670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).