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

C32H22O — CID 155763710

IUPAC2-benzylspiro[fluorene-9,9'-xanthene]
SMILESc1ccc(Cc2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C32H22O/c1-2-10-22(11-3-1)20-23-18-19-25-24-12-4-5-13-26(24)32(29(25)21-23)27-14-6-8-16-30(27)33-31-17-9-7-15-28(31)32/h1-19,21H,20H2
InChIKeyCAHVFFGNLURGLA-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 155763710) 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 CID155763710
Molecular FormulaC32H22O
Molecular Weight422.53 g/mol
Exact Mass422.17
IUPAC Name2-benzylspiro[fluorene-9,9'-xanthene]
SMILESc1ccc(Cc2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C32H22O/c1-2-10-22(11-3-1)20-23-18-19-25-24-12-4-5-13-26(24)32(29(25)21-23)27-14-6-8-16-30(27)33-31-17-9-7-15-28(31)32/h1-19,21H,20H2
InChIKeyCAHVFFGNLURGLA-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 155763670
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-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
2-[[4-[4-(9H-fluoren-9-ylmethyl)phenyl]phenyl]methyl]-9,9'-spirobi[fluorene]
CID 145077269
N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 150606722
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
2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]
CID 59096369
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316

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 155763710) 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(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of 2-benzylspiro[fluorene-9,9'-xanthene]?
The InChIKey is CAHVFFGNLURGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O/c1-2-10-22(11-3-1)20-23-18-19-25-24-12-4-5-13-26(24)32(29(25)21-23)27-14-6-8-16-30(27)33-31-17-9-7-15-28(31)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 155763710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).