3-methyl-7-[2-(6,9,9-trimethylfluoren-3-yl)ethyl]dibenzofuran

C31H28O — CID 134443044

IUPAC3-methyl-7-[2-(6,9,9-trimethylfluoren-3-yl)ethyl]dibenzofuran
SMILESCc1ccc2c(c1)-c1cc(CCc3ccc4c(c3)oc3cc(C)ccc34)ccc1C2(C)C
InChIInChI=1S/C31H28O/c1-19-6-13-27-25(15-19)26-17-21(10-14-28(26)31(27,3)4)7-8-22-9-12-24-23-11-5-20(2)16-29(23)32-30(24)18-22/h5-6,9-18H,7-8H2,1-4H3
InChIKeyDIAXLGHCNUFLEX-UHFFFAOYSA-N
MW416.56 g/mol
LogP8.29
Rot. Bonds3

About 3-methyl-7-[2-(6,9,9-trimethylfluoren-3-yl)ethyl]dibenzofuran

3-methyl-7-[2-(6,9,9-trimethylfluoren-3-yl)ethyl]dibenzofuran (PubChem CID 134443044) has the molecular formula C31H28O and a molecular weight of 416.56 g/mol. Its IUPAC name is 3-methyl-7-[2-(6,9,9-trimethylfluoren-3-yl)ethyl]dibenzofuran.

Molecular Properties

Compound Name3-methyl-7-[2-(6,9,9-trimethylfluoren-3-yl)ethyl]dibenzofuran
PubChem CID134443044
Molecular FormulaC31H28O
Molecular Weight416.56 g/mol
Exact Mass416.21
IUPAC Name3-methyl-7-[2-(6,9,9-trimethylfluoren-3-yl)ethyl]dibenzofuran
SMILESCc1ccc2c(c1)-c1cc(CCc3ccc4c(c3)oc3cc(C)ccc34)ccc1C2(C)C
InChIInChI=1S/C31H28O/c1-19-6-13-27-25(15-19)26-17-21(10-14-28(26)31(27,3)4)7-8-22-9-12-24-23-11-5-20(2)16-29(23)32-30(24)18-22/h5-6,9-18H,7-8H2,1-4H3
InChIKeyDIAXLGHCNUFLEX-UHFFFAOYSA-N
XLogP8.29
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.56
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyldibenzofuran;3,4,9,9-tetramethylfluorene
CID 162362619
7,7,9-trimethylfluoreno[2,3-b][1]benzofuran
CID 129267055
2,6,9,9-tetramethylfluorene
CID 23527438
5,7,7-trimethyl-3-[[4-[3-[[4-[3-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]benzo[c]fluorene
CID 123592313
2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;2,7-dimethyl-9-phenylcarbazole;3,6-dimethyl-9-phenylcarbazole;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene
CID 159765295
3-ethyldibenzofuran
CID 58510747
2-methyl-8-(7-methyldibenzofuran-2-yl)dibenzofuran
CID 59359477
N,6,9,9-tetramethyl-N-(4-methylphenyl)fluoren-3-amine
CID 23593227
2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran
CID 59195028
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602605
2-(9,9-dimethylfluoren-3-yl)-4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-yl)-6-phenyl-1,3,5-triazine
CID 167689727

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[2-(6,9,9-trimethylfluoren-3-yl)ethyl]dibenzofuran?
The IUPAC name of 3-methyl-7-[2-(6,9,9-trimethylfluoren-3-yl)ethyl]dibenzofuran (CID 134443044) is 3-methyl-7-[2-(6,9,9-trimethylfluoren-3-yl)ethyl]dibenzofuran.
What is the SMILES notation for 3-methyl-7-[2-(6,9,9-trimethylfluoren-3-yl)ethyl]dibenzofuran?
The canonical SMILES for 3-methyl-7-[2-(6,9,9-trimethylfluoren-3-yl)ethyl]dibenzofuran is Cc1ccc2c(c1)-c1cc(CCc3ccc4c(c3)oc3cc(C)ccc34)ccc1C2(C)C.
What is the InChIKey of 3-methyl-7-[2-(6,9,9-trimethylfluoren-3-yl)ethyl]dibenzofuran?
The InChIKey is DIAXLGHCNUFLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O/c1-19-6-13-27-25(15-19)26-17-21(10-14-28(26)31(27,3)4)7-8-22-9-12-24-23-11-5-20(2)16-29(23)32-30(24)18-22/h5-6,9-18H,7-8H2,1-4H3.
What are the key properties of 3-methyl-7-[2-(6,9,9-trimethylfluoren-3-yl)ethyl]dibenzofuran?
3-methyl-7-[2-(6,9,9-trimethylfluoren-3-yl)ethyl]dibenzofuran has a molecular weight of 416.56 g/mol, XLogP of 8.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[2-(6,9,9-trimethylfluoren-3-yl)ethyl]dibenzofuran is sourced from PubChem (CID 134443044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).