1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran

C33H22O2 — CID 140907201

IUPAC1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1cccc(-c2ccc4c(c2)oc2ccccc24)c13
InChIInChI=1S/C33H22O2/c1-33(2)26-11-5-3-8-21(26)24-17-25-31(18-27(24)33)35-29-13-7-10-20(32(25)29)19-14-15-23-22-9-4-6-12-28(22)34-30(23)16-19/h3-18H,1-2H3
InChIKeyAXTFNSSSSQYRNA-UHFFFAOYSA-N
MW450.54 g/mol
LogP9.46
Rot. Bonds1

About 1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran

1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran (PubChem CID 140907201) has the molecular formula C33H22O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran.

Molecular Properties

Compound Name1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
PubChem CID140907201
Molecular FormulaC33H22O2
Molecular Weight450.54 g/mol
Exact Mass450.16
IUPAC Name1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1cccc(-c2ccc4c(c2)oc2ccccc24)c13
InChIInChI=1S/C33H22O2/c1-33(2)26-11-5-3-8-21(26)24-17-25-31(18-27(24)33)35-29-13-7-10-20(32(25)29)19-14-15-23-22-9-4-6-12-28(22)34-30(23)16-19/h3-18H,1-2H3
InChIKeyAXTFNSSSSQYRNA-UHFFFAOYSA-N
XLogP9.46
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
3-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran;4-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-1-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-2-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-3-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-4-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran
CID 160855811
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140907356
2-dibenzofuran-3-yl-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681220
12,22-bis(9,9-dimethylfluoren-3-yl)-15,15-dimethyl-10,19-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene
CID 146228025
4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)dibenzofuran
CID 118472826
9,19-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-16-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 146228022
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002484
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153369481
2-dibenzofuran-1-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134218099
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline
CID 140907283

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran?
The IUPAC name of 1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran (CID 140907201) is 1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran.
What is the SMILES notation for 1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran?
The canonical SMILES for 1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran is CC1(C)c2ccccc2-c2cc3c(cc21)oc1cccc(-c2ccc4c(c2)oc2ccccc24)c13.
What is the InChIKey of 1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran?
The InChIKey is AXTFNSSSSQYRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22O2/c1-33(2)26-11-5-3-8-21(26)24-17-25-31(18-27(24)33)35-29-13-7-10-20(32(25)29)19-14-15-23-22-9-4-6-12-28(22)34-30(23)16-19/h3-18H,1-2H3.
What are the key properties of 1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran?
1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran has a molecular weight of 450.54 g/mol, XLogP of 9.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran is sourced from PubChem (CID 140907201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).