3-methyldibenzofuran;3,4,9,9-tetramethylfluorene

C30H28O — CID 162362619

IUPAC3-methyldibenzofuran;3,4,9,9-tetramethylfluorene
SMILESCc1ccc2c(c1)oc1ccccc12.Cc1ccc2c(c1C)-c1ccccc1C2(C)C
InChIInChI=1S/C17H18.C13H10O/c1-11-9-10-15-16(12(11)2)13-7-5-6-8-14(13)17(15,3)4;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h5-10H,1-4H3;2-8H,1H3
InChIKeyLKMXXNMXLZELBF-UHFFFAOYSA-N
MW404.55 g/mol
LogP8.50
Rot. Bonds

About 3-methyldibenzofuran;3,4,9,9-tetramethylfluorene

3-methyldibenzofuran;3,4,9,9-tetramethylfluorene (PubChem CID 162362619) has the molecular formula C30H28O and a molecular weight of 404.55 g/mol. Its IUPAC name is 3-methyldibenzofuran;3,4,9,9-tetramethylfluorene.

Molecular Properties

Compound Name3-methyldibenzofuran;3,4,9,9-tetramethylfluorene
PubChem CID162362619
Molecular FormulaC30H28O
Molecular Weight404.55 g/mol
Exact Mass404.21
IUPAC Name3-methyldibenzofuran;3,4,9,9-tetramethylfluorene
SMILESCc1ccc2c(c1)oc1ccccc12.Cc1ccc2c(c1C)-c1ccccc1C2(C)C
InChIInChI=1S/C17H18.C13H10O/c1-11-9-10-15-16(12(11)2)13-7-5-6-8-14(13)17(15,3)4;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h5-10H,1-4H3;2-8H,1H3
InChIKeyLKMXXNMXLZELBF-UHFFFAOYSA-N
XLogP8.50
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran
CID 59195028
3-[10-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)anthracen-9-yl]dibenzofuran
CID 122426220
12-dibenzofuran-3-yl-7,7-dimethylindeno[1,2-a]carbazole
CID 118502345
2-dibenzofuran-3-yl-4-(7,7-dimethylbenzo[c]fluoren-5-yl)-6-phenyl-1,3,5-triazine
CID 155474303
7,7,9-trimethylfluoreno[2,3-b][1]benzofuran
CID 129267055
5-bromo-7,7-dimethylfluoreno[4,3-b][1]benzofuran;7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 157381043
3-methyl-7-[2-(6,9,9-trimethylfluoren-3-yl)ethyl]dibenzofuran
CID 134443044
2-dibenzofuran-3-yl-4-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)-6-phenyl-1,3,5-triazine
CID 164721515
6-[3-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 142487678
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59195200
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-4-yl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681339
4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran
CID 59195065

Frequently Asked Questions

What is the IUPAC name of 3-methyldibenzofuran;3,4,9,9-tetramethylfluorene?
The IUPAC name of 3-methyldibenzofuran;3,4,9,9-tetramethylfluorene (CID 162362619) is 3-methyldibenzofuran;3,4,9,9-tetramethylfluorene.
What is the SMILES notation for 3-methyldibenzofuran;3,4,9,9-tetramethylfluorene?
The canonical SMILES for 3-methyldibenzofuran;3,4,9,9-tetramethylfluorene is Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2c(c1C)-c1ccccc1C2(C)C.
What is the InChIKey of 3-methyldibenzofuran;3,4,9,9-tetramethylfluorene?
The InChIKey is LKMXXNMXLZELBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18.C13H10O/c1-11-9-10-15-16(12(11)2)13-7-5-6-8-14(13)17(15,3)4;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h5-10H,1-4H3;2-8H,1H3.
What are the key properties of 3-methyldibenzofuran;3,4,9,9-tetramethylfluorene?
3-methyldibenzofuran;3,4,9,9-tetramethylfluorene has a molecular weight of 404.55 g/mol, XLogP of 8.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyldibenzofuran;3,4,9,9-tetramethylfluorene is sourced from PubChem (CID 162362619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).