5,10-diethyl-2,8-dimethyl-11H-benzo[b]fluorene

C23H24 — CID 20616839

IUPAC5,10-diethyl-2,8-dimethyl-11H-benzo[b]fluorene
SMILESCCc1c2c(c(CC)c3ccc(C)cc13)-c1ccc(C)cc1C2
InChIInChI=1S/C23H24/c1-5-17-21-12-15(4)8-10-20(21)18(6-2)23-19-9-7-14(3)11-16(19)13-22(17)23/h7-12H,5-6,13H2,1-4H3
InChIKeyMCVLIXNQOODQLX-UHFFFAOYSA-N
MW300.45 g/mol
LogP6.15
Rot. Bonds2

About 5,10-diethyl-2,8-dimethyl-11H-benzo[b]fluorene

5,10-diethyl-2,8-dimethyl-11H-benzo[b]fluorene (PubChem CID 20616839) has the molecular formula C23H24 and a molecular weight of 300.45 g/mol. Its IUPAC name is 5,10-diethyl-2,8-dimethyl-11H-benzo[b]fluorene.

Molecular Properties

Compound Name5,10-diethyl-2,8-dimethyl-11H-benzo[b]fluorene
PubChem CID20616839
Molecular FormulaC23H24
Molecular Weight300.45 g/mol
Exact Mass300.19
IUPAC Name5,10-diethyl-2,8-dimethyl-11H-benzo[b]fluorene
SMILESCCc1c2c(c(CC)c3ccc(C)cc13)-c1ccc(C)cc1C2
InChIInChI=1S/C23H24/c1-5-17-21-12-15(4)8-10-20(21)18(6-2)23-19-9-7-14(3)11-16(19)13-22(17)23/h7-12H,5-6,13H2,1-4H3
InChIKeyMCVLIXNQOODQLX-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,10-diethyl-2,8-dimethyl-11H-benzo[b]fluorene?
The IUPAC name of 5,10-diethyl-2,8-dimethyl-11H-benzo[b]fluorene (CID 20616839) is 5,10-diethyl-2,8-dimethyl-11H-benzo[b]fluorene.
What is the SMILES notation for 5,10-diethyl-2,8-dimethyl-11H-benzo[b]fluorene?
The canonical SMILES for 5,10-diethyl-2,8-dimethyl-11H-benzo[b]fluorene is CCc1c2c(c(CC)c3ccc(C)cc13)-c1ccc(C)cc1C2.
What is the InChIKey of 5,10-diethyl-2,8-dimethyl-11H-benzo[b]fluorene?
The InChIKey is MCVLIXNQOODQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24/c1-5-17-21-12-15(4)8-10-20(21)18(6-2)23-19-9-7-14(3)11-16(19)13-22(17)23/h7-12H,5-6,13H2,1-4H3.
What are the key properties of 5,10-diethyl-2,8-dimethyl-11H-benzo[b]fluorene?
5,10-diethyl-2,8-dimethyl-11H-benzo[b]fluorene has a molecular weight of 300.45 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-diethyl-2,8-dimethyl-11H-benzo[b]fluorene is sourced from PubChem (CID 20616839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).