7-dibenzofuran-3-ylspiro[3,4-dihydrofluorene-9,9'-3,4-dihydroxanthene]

C37H26O2 — CID 163961463

IUPAC7-dibenzofuran-3-ylspiro[3,4-dihydrofluorene-9,9'-3,4-dihydroxanthene]
SMILESC1=CC2=C(CC1)Oc1ccccc1C21C2=C(CCC=C2)c2ccc(-c3ccc4c(c3)oc3ccccc34)cc21
InChIInChI=1S/C37H26O2/c1-3-11-29-25(9-1)26-19-17-23(24-18-20-28-27-10-2-6-14-33(27)38-36(28)22-24)21-32(26)37(29)30-12-4-7-15-34(30)39-35-16-8-5-13-31(35)37/h2-7,10-15,17-22H,1,8-9,16H2
InChIKeySHVBSKFMQRSMLW-UHFFFAOYSA-N
MW502.61 g/mol
LogP9.65
Rot. Bonds1

About 7-dibenzofuran-3-ylspiro[3,4-dihydrofluorene-9,9'-3,4-dihydroxanthene]

7-dibenzofuran-3-ylspiro[3,4-dihydrofluorene-9,9'-3,4-dihydroxanthene] (PubChem CID 163961463) has the molecular formula C37H26O2 and a molecular weight of 502.61 g/mol. Its IUPAC name is 7-dibenzofuran-3-ylspiro[3,4-dihydrofluorene-9,9'-3,4-dihydroxanthene].

Molecular Properties

Compound Name7-dibenzofuran-3-ylspiro[3,4-dihydrofluorene-9,9'-3,4-dihydroxanthene]
PubChem CID163961463
Molecular FormulaC37H26O2
Molecular Weight502.61 g/mol
Exact Mass502.19
IUPAC Name7-dibenzofuran-3-ylspiro[3,4-dihydrofluorene-9,9'-3,4-dihydroxanthene]
SMILESC1=CC2=C(CC1)Oc1ccccc1C21C2=C(CCC=C2)c2ccc(-c3ccc4c(c3)oc3ccccc34)cc21
InChIInChI=1S/C37H26O2/c1-3-11-29-25(9-1)26-19-17-23(24-18-20-28-27-10-2-6-14-33(27)38-36(28)22-24)21-32(26)37(29)30-12-4-7-15-34(30)39-35-16-8-5-13-31(35)37/h2-7,10-15,17-22H,1,8-9,16H2
InChIKeySHVBSKFMQRSMLW-UHFFFAOYSA-N
XLogP9.65
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.61
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine
CID 146215867
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 166906613
2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137388685
4-[4-[9-(4-phenylphenyl)-3,4-dihydrofluoren-9-yl]phenyl]dibenzofuran
CID 66656897
3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177299078
4-(3-cyclohexa-1,3-dien-1-ylphenyl)-6-(3-phenylphenyl)-2-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137391754
N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine
CID 167218680
N-dibenzothiophen-2-yl-N-spiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 167095129
7-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;7-dibenzofuran-3-yl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 160626252
4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378916
2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-9-ylpyrimidine
CID 167340456
3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-3-ylspiro[3,4-dihydrofluorene-9,9'-3,4-dihydroxanthene]?
The IUPAC name of 7-dibenzofuran-3-ylspiro[3,4-dihydrofluorene-9,9'-3,4-dihydroxanthene] (CID 163961463) is 7-dibenzofuran-3-ylspiro[3,4-dihydrofluorene-9,9'-3,4-dihydroxanthene].
What is the SMILES notation for 7-dibenzofuran-3-ylspiro[3,4-dihydrofluorene-9,9'-3,4-dihydroxanthene]?
The canonical SMILES for 7-dibenzofuran-3-ylspiro[3,4-dihydrofluorene-9,9'-3,4-dihydroxanthene] is C1=CC2=C(CC1)Oc1ccccc1C21C2=C(CCC=C2)c2ccc(-c3ccc4c(c3)oc3ccccc34)cc21.
What is the InChIKey of 7-dibenzofuran-3-ylspiro[3,4-dihydrofluorene-9,9'-3,4-dihydroxanthene]?
The InChIKey is SHVBSKFMQRSMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26O2/c1-3-11-29-25(9-1)26-19-17-23(24-18-20-28-27-10-2-6-14-33(27)38-36(28)22-24)21-32(26)37(29)30-12-4-7-15-34(30)39-35-16-8-5-13-31(35)37/h2-7,10-15,17-22H,1,8-9,16H2.
What are the key properties of 7-dibenzofuran-3-ylspiro[3,4-dihydrofluorene-9,9'-3,4-dihydroxanthene]?
7-dibenzofuran-3-ylspiro[3,4-dihydrofluorene-9,9'-3,4-dihydroxanthene] has a molecular weight of 502.61 g/mol, XLogP of 9.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzofuran-3-ylspiro[3,4-dihydrofluorene-9,9'-3,4-dihydroxanthene] is sourced from PubChem (CID 163961463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).