7,7,9-trimethylfluoreno[2,3-b][1]benzofuran

C22H18O — CID 129267055

IUPAC7,7,9-trimethylfluoreno[2,3-b][1]benzofuran
SMILESCc1ccc2c(c1)C(C)(C)c1cc3oc4ccccc4c3cc1-2
InChIInChI=1S/C22H18O/c1-13-8-9-14-16-11-17-15-6-4-5-7-20(15)23-21(17)12-19(16)22(2,3)18(14)10-13/h4-12H,1-3H3
InChIKeyVFNOVVGKIFKNRP-UHFFFAOYSA-N
MW298.38 g/mol
LogP6.20
Rot. Bonds

About 7,7,9-trimethylfluoreno[2,3-b][1]benzofuran

7,7,9-trimethylfluoreno[2,3-b][1]benzofuran (PubChem CID 129267055) has the molecular formula C22H18O and a molecular weight of 298.38 g/mol. Its IUPAC name is 7,7,9-trimethylfluoreno[2,3-b][1]benzofuran.

Molecular Properties

Compound Name7,7,9-trimethylfluoreno[2,3-b][1]benzofuran
PubChem CID129267055
Molecular FormulaC22H18O
Molecular Weight298.38 g/mol
Exact Mass298.14
IUPAC Name7,7,9-trimethylfluoreno[2,3-b][1]benzofuran
SMILESCc1ccc2c(c1)C(C)(C)c1cc3oc4ccccc4c3cc1-2
InChIInChI=1S/C22H18O/c1-13-8-9-14-16-11-17-15-6-4-5-7-20(15)23-21(17)12-19(16)22(2,3)18(14)10-13/h4-12H,1-3H3
InChIKeyVFNOVVGKIFKNRP-UHFFFAOYSA-N
XLogP6.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.38
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 130288485
2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran
CID 130189425
15,15-dimethyl-19-[4-(4-methylphenyl)phenyl]-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118891844
7-N-dibenzofuran-2-yl-7-N,9,9-trimethyl-2-N-phenyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine
CID 23593295
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218012
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 130232863
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[2,3-b][1]benzofuran-9-amine
CID 130290634
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907201
2,7,9,9-tetramethylfluorene
CID 22951928
2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
CID 146397383

Frequently Asked Questions

What is the IUPAC name of 7,7,9-trimethylfluoreno[2,3-b][1]benzofuran?
The IUPAC name of 7,7,9-trimethylfluoreno[2,3-b][1]benzofuran (CID 129267055) is 7,7,9-trimethylfluoreno[2,3-b][1]benzofuran.
What is the SMILES notation for 7,7,9-trimethylfluoreno[2,3-b][1]benzofuran?
The canonical SMILES for 7,7,9-trimethylfluoreno[2,3-b][1]benzofuran is Cc1ccc2c(c1)C(C)(C)c1cc3oc4ccccc4c3cc1-2.
What is the InChIKey of 7,7,9-trimethylfluoreno[2,3-b][1]benzofuran?
The InChIKey is VFNOVVGKIFKNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O/c1-13-8-9-14-16-11-17-15-6-4-5-7-20(15)23-21(17)12-19(16)22(2,3)18(14)10-13/h4-12H,1-3H3.
What are the key properties of 7,7,9-trimethylfluoreno[2,3-b][1]benzofuran?
7,7,9-trimethylfluoreno[2,3-b][1]benzofuran has a molecular weight of 298.38 g/mol, XLogP of 6.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,9-trimethylfluoreno[2,3-b][1]benzofuran is sourced from PubChem (CID 129267055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).