9-benzylidene-2,7-dimethylfluorene;ethane

C28H36 — CID 91037957

IUPAC9-benzylidene-2,7-dimethylfluorene;ethane
SMILESCC.CC.CC.Cc1ccc2c(c1)C(=Cc1ccccc1)c1cc(C)ccc1-2
InChIInChI=1S/C22H18.3C2H6/c1-15-8-10-18-19-11-9-16(2)13-21(19)22(20(18)12-15)14-17-6-4-3-5-7-17;3*1-2/h3-14H,1-2H3;3*1-2H3
InChIKeyQGRLNFZOLHETNZ-UHFFFAOYSA-N
MW372.60 g/mol
LogP8.95
Rot. Bonds1

About 9-benzylidene-2,7-dimethylfluorene;ethane

9-benzylidene-2,7-dimethylfluorene;ethane (PubChem CID 91037957) has the molecular formula C28H36 and a molecular weight of 372.60 g/mol. Its IUPAC name is 9-benzylidene-2,7-dimethylfluorene;ethane.

Molecular Properties

Compound Name9-benzylidene-2,7-dimethylfluorene;ethane
PubChem CID91037957
Molecular FormulaC28H36
Molecular Weight372.60 g/mol
Exact Mass372.28
IUPAC Name9-benzylidene-2,7-dimethylfluorene;ethane
SMILESCC.CC.CC.Cc1ccc2c(c1)C(=Cc1ccccc1)c1cc(C)ccc1-2
InChIInChI=1S/C22H18.3C2H6/c1-15-8-10-18-19-11-9-16(2)13-21(19)22(20(18)12-15)14-17-6-4-3-5-7-17;3*1-2/h3-14H,1-2H3;3*1-2H3
InChIKeyQGRLNFZOLHETNZ-UHFFFAOYSA-N
XLogP8.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-9-[(4-methylsulfanylphenyl)methylidene]fluorene
CID 76760087
9-benzylidene-2,7-diiodofluorene
CID 19892568
3-benzylidene-6-methyl-1H-indol-2-one
CID 71248660
9-benzylidene-3-methylindeno[2,1-c]pyridine
CID 1427170
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
CID 59171641
11-[(4-methoxyphenyl)methylidene]-2-methylindeno[1,2-b]quinoxaline
CID 6612151
9-benzylidene-2,7-dinaphthalen-1-ylfluorene
CID 141308479
11-[(4-bromophenyl)methylidene]-3-methylindeno[1,2-b]quinoline
CID 3480514
(9E)-9-[(4-phenylphenyl)methylidene]-2-propan-2-ylfluorene
CID 170544030
9,21-dibenzylidene-6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 74006503
2-(4-methyl-2-phenylphenyl)phenol
CID 11368967
9-benzhydrylidene-2-methylfluorene
CID 631309

Frequently Asked Questions

What is the IUPAC name of 9-benzylidene-2,7-dimethylfluorene;ethane?
The IUPAC name of 9-benzylidene-2,7-dimethylfluorene;ethane (CID 91037957) is 9-benzylidene-2,7-dimethylfluorene;ethane.
What is the SMILES notation for 9-benzylidene-2,7-dimethylfluorene;ethane?
The canonical SMILES for 9-benzylidene-2,7-dimethylfluorene;ethane is CC.CC.CC.Cc1ccc2c(c1)C(=Cc1ccccc1)c1cc(C)ccc1-2.
What is the InChIKey of 9-benzylidene-2,7-dimethylfluorene;ethane?
The InChIKey is QGRLNFZOLHETNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18.3C2H6/c1-15-8-10-18-19-11-9-16(2)13-21(19)22(20(18)12-15)14-17-6-4-3-5-7-17;3*1-2/h3-14H,1-2H3;3*1-2H3.
What are the key properties of 9-benzylidene-2,7-dimethylfluorene;ethane?
9-benzylidene-2,7-dimethylfluorene;ethane has a molecular weight of 372.60 g/mol, XLogP of 8.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzylidene-2,7-dimethylfluorene;ethane is sourced from PubChem (CID 91037957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).