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

C33H22O2 — CID 140907338

IUPAC2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2ccc4c(c2)oc2ccccc24)cc13
InChIInChI=1S/C33H22O2/c1-33(2)27-9-5-3-7-21(27)24-17-26-25-15-19(12-14-30(25)35-32(26)18-28(24)33)20-11-13-23-22-8-4-6-10-29(22)34-31(23)16-20/h3-18H,1-2H3
InChIKeyCGBKXBWVISQXNF-UHFFFAOYSA-N
MW450.54 g/mol
LogP9.46
Rot. Bonds1

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

2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran (PubChem CID 140907338) has the molecular formula C33H22O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
PubChem CID140907338
Molecular FormulaC33H22O2
Molecular Weight450.54 g/mol
Exact Mass450.16
IUPAC Name2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2ccc4c(c2)oc2ccccc24)cc13
InChIInChI=1S/C33H22O2/c1-33(2)27-9-5-3-7-21(27)24-17-26-25-15-19(12-14-30(25)35-32(26)18-28(24)33)20-11-13-23-22-8-4-6-10-29(22)34-31(23)16-20/h3-18H,1-2H3
InChIKeyCGBKXBWVISQXNF-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-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907201
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
2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran
CID 163945775
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
CID 59194951
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
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran
CID 59195828
3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427406
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
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
2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59196306

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran?
The IUPAC name of 2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran (CID 140907338) is 2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran.
What is the SMILES notation for 2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran?
The canonical SMILES for 2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran is CC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2ccc4c(c2)oc2ccccc24)cc13.
What is the InChIKey of 2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran?
The InChIKey is CGBKXBWVISQXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22O2/c1-33(2)27-9-5-3-7-21(27)24-17-26-25-15-19(12-14-30(25)35-32(26)18-28(24)33)20-11-13-23-22-8-4-6-10-29(22)34-31(23)16-20/h3-18H,1-2H3.
What are the key properties of 2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran?
2-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 2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran is sourced from PubChem (CID 140907338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).