11,11-diethyl-8-methoxybenzo[b]fluorene

C22H22O — CID 59844089

IUPAC11,11-diethyl-8-methoxybenzo[b]fluorene
SMILESCCC1(CC)c2ccccc2-c2cc3ccc(OC)cc3cc21
InChIInChI=1S/C22H22O/c1-4-22(5-2)20-9-7-6-8-18(20)19-13-15-10-11-17(23-3)12-16(15)14-21(19)22/h6-14H,4-5H2,1-3H3
InChIKeyPDQWMVCDBHNBCX-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.93
Rot. Bonds3

About 11,11-diethyl-8-methoxybenzo[b]fluorene

11,11-diethyl-8-methoxybenzo[b]fluorene (PubChem CID 59844089) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 11,11-diethyl-8-methoxybenzo[b]fluorene.

Molecular Properties

Compound Name11,11-diethyl-8-methoxybenzo[b]fluorene
PubChem CID59844089
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name11,11-diethyl-8-methoxybenzo[b]fluorene
SMILESCCC1(CC)c2ccccc2-c2cc3ccc(OC)cc3cc21
InChIInChI=1S/C22H22O/c1-4-22(5-2)20-9-7-6-8-18(20)19-13-15-10-11-17(23-3)12-16(15)14-21(19)22/h6-14H,4-5H2,1-3H3
InChIKeyPDQWMVCDBHNBCX-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene
CID 20822293
9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene
CID 20822214
2-[3-[3,5-bis(9,9-diethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
CID 59858796
2-(11,11-diethylbenzo[b]fluoren-8-yl)-5,5-dimethyl-1,3,2-dioxaborinane
CID 59844095
9,9-diethyl-N-(4-methoxy-2-methylphenyl)-N-phenylfluoren-2-amine
CID 139815803
N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine
CID 177080014
3,6-dibromo-9-(9,9-diethylfluoren-2-yl)carbazole
CID 68542986
9,9-diethylfluoren-2-ol
CID 163996675
CID 173482166
CID 173482166
2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene
CID 102433648
9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene
CID 102433644
2-(9,9-dimethylfluoren-2-yl)-7-[6-(6-methoxynaphthalen-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 90394242

Frequently Asked Questions

What is the IUPAC name of 11,11-diethyl-8-methoxybenzo[b]fluorene?
The IUPAC name of 11,11-diethyl-8-methoxybenzo[b]fluorene (CID 59844089) is 11,11-diethyl-8-methoxybenzo[b]fluorene.
What is the SMILES notation for 11,11-diethyl-8-methoxybenzo[b]fluorene?
The canonical SMILES for 11,11-diethyl-8-methoxybenzo[b]fluorene is CCC1(CC)c2ccccc2-c2cc3ccc(OC)cc3cc21.
What is the InChIKey of 11,11-diethyl-8-methoxybenzo[b]fluorene?
The InChIKey is PDQWMVCDBHNBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c1-4-22(5-2)20-9-7-6-8-18(20)19-13-15-10-11-17(23-3)12-16(15)14-21(19)22/h6-14H,4-5H2,1-3H3.
What are the key properties of 11,11-diethyl-8-methoxybenzo[b]fluorene?
11,11-diethyl-8-methoxybenzo[b]fluorene has a molecular weight of 302.42 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-diethyl-8-methoxybenzo[b]fluorene is sourced from PubChem (CID 59844089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).