2,2'-bis(1-benzofuran-2-yl)spiro[fluorene-9,9'-xanthene]

C41H24O3 — CID 59096391

IUPAC2,2'-bis(1-benzofuran-2-yl)spiro[fluorene-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccc(-c3cc4ccccc4o3)cc1C21c2ccccc2-c2ccc(-c3cc4ccccc4o3)cc21
InChIInChI=1S/C41H24O3/c1-6-14-35-25(9-1)23-39(42-35)27-17-19-30-29-11-3-4-12-31(29)41(33(30)21-27)32-13-5-8-16-37(32)44-38-20-18-28(22-34(38)41)40-24-26-10-2-7-15-36(26)43-40/h1-24H
InChIKeyLCUGPGPBCXTZDI-UHFFFAOYSA-N
MW564.64 g/mol
LogP10.98
Rot. Bonds2

About 2,2'-bis(1-benzofuran-2-yl)spiro[fluorene-9,9'-xanthene]

2,2'-bis(1-benzofuran-2-yl)spiro[fluorene-9,9'-xanthene] (PubChem CID 59096391) has the molecular formula C41H24O3 and a molecular weight of 564.64 g/mol. Its IUPAC name is 2,2'-bis(1-benzofuran-2-yl)spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2,2'-bis(1-benzofuran-2-yl)spiro[fluorene-9,9'-xanthene]
PubChem CID59096391
Molecular FormulaC41H24O3
Molecular Weight564.64 g/mol
Exact Mass564.17
IUPAC Name2,2'-bis(1-benzofuran-2-yl)spiro[fluorene-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccc(-c3cc4ccccc4o3)cc1C21c2ccccc2-c2ccc(-c3cc4ccccc4o3)cc21
InChIInChI=1S/C41H24O3/c1-6-14-35-25(9-1)23-39(42-35)27-17-19-30-29-11-3-4-12-31(29)41(33(30)21-27)32-13-5-8-16-37(32)44-38-20-18-28(22-34(38)41)40-24-26-10-2-7-15-36(26)43-40/h1-24H
InChIKeyLCUGPGPBCXTZDI-UHFFFAOYSA-N
XLogP10.98
TPSA35.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.64
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[2'-(1-methylindol-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]indole
CID 59096367
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
9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene
CID 170017622
2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 177127552
2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]
CID 59096369
2-[3-(1-benzofuran-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-(1-benzofuran-3-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 167556867
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170032385
2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 177298671
2-[3-(1,3-benzoxazol-2-yl)-5-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-ylphenyl)phenyl]-1,3-benzoxazole
CID 164783476
10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 122629683

Frequently Asked Questions

What is the IUPAC name of 2,2'-bis(1-benzofuran-2-yl)spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2,2'-bis(1-benzofuran-2-yl)spiro[fluorene-9,9'-xanthene] (CID 59096391) is 2,2'-bis(1-benzofuran-2-yl)spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2,2'-bis(1-benzofuran-2-yl)spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2,2'-bis(1-benzofuran-2-yl)spiro[fluorene-9,9'-xanthene] is c1ccc2c(c1)Oc1ccc(-c3cc4ccccc4o3)cc1C21c2ccccc2-c2ccc(-c3cc4ccccc4o3)cc21.
What is the InChIKey of 2,2'-bis(1-benzofuran-2-yl)spiro[fluorene-9,9'-xanthene]?
The InChIKey is LCUGPGPBCXTZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24O3/c1-6-14-35-25(9-1)23-39(42-35)27-17-19-30-29-11-3-4-12-31(29)41(33(30)21-27)32-13-5-8-16-37(32)44-38-20-18-28(22-34(38)41)40-24-26-10-2-7-15-36(26)43-40/h1-24H.
What are the key properties of 2,2'-bis(1-benzofuran-2-yl)spiro[fluorene-9,9'-xanthene]?
2,2'-bis(1-benzofuran-2-yl)spiro[fluorene-9,9'-xanthene] has a molecular weight of 564.64 g/mol, XLogP of 10.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2'-bis(1-benzofuran-2-yl)spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 59096391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).