(4Z)-4-benzylidene-5-methyl-5-phenyl-1H-indeno[1,2-c]pyran

C26H22O — CID 132555120

IUPAC(4Z)-4-benzylidene-5-methyl-5-phenyl-1H-indeno[1,2-c]pyran
SMILESCC1(c2ccccc2)C2=C(COC/C2=C\c2ccccc2)c2ccccc21
InChIInChI=1S/C26H22O/c1-26(21-12-6-3-7-13-21)24-15-9-8-14-22(24)23-18-27-17-20(25(23)26)16-19-10-4-2-5-11-19/h2-16H,17-18H2,1H3/b20-16+
InChIKeyLBWVHRIYTJJWBK-CAPFRKAQSA-N
MW350.46 g/mol
LogP5.87
Rot. Bonds2

About (4Z)-4-benzylidene-5-methyl-5-phenyl-1H-indeno[1,2-c]pyran

(4Z)-4-benzylidene-5-methyl-5-phenyl-1H-indeno[1,2-c]pyran (PubChem CID 132555120) has the molecular formula C26H22O and a molecular weight of 350.46 g/mol. Its IUPAC name is (4Z)-4-benzylidene-5-methyl-5-phenyl-1H-indeno[1,2-c]pyran.

Molecular Properties

Compound Name(4Z)-4-benzylidene-5-methyl-5-phenyl-1H-indeno[1,2-c]pyran
PubChem CID132555120
Molecular FormulaC26H22O
Molecular Weight350.46 g/mol
Exact Mass350.17
IUPAC Name(4Z)-4-benzylidene-5-methyl-5-phenyl-1H-indeno[1,2-c]pyran
SMILESCC1(c2ccccc2)C2=C(COC/C2=C\c2ccccc2)c2ccccc21
InChIInChI=1S/C26H22O/c1-26(21-12-6-3-7-13-21)24-15-9-8-14-22(24)23-18-27-17-20(25(23)26)16-19-10-4-2-5-11-19/h2-16H,17-18H2,1H3/b20-16+
InChIKeyLBWVHRIYTJJWBK-CAPFRKAQSA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4Z)-4-[(4-fluorophenyl)methylidene]-5,5-dimethyl-1H-indeno[1,2-c]pyran
CID 132555118
(3Z,4Z)-3-benzylidene-4-inden-1-ylideneoxolane
CID 132510232
[(E)-[(2E)-2-[(2E)-2-benzylidenecyclopentylidene]cyclopentylidene]methyl]benzene
CID 102353604
3-benzylidene-1-benzofuran
CID 72960863
9-methyl-9-phenylfluoren-4-ol
CID 139484121
(4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one
CID 10399128
9-(3-fluoren-9-ylidene-2-methyl-2-phenylinden-1-ylidene)fluorene
CID 139125483
(3Z)-3-benzylidene-2,2-dimethyloxolane
CID 177435571
[(E)-[(2E)-2-benzylidenecyclohexylidene]methyl]-trimethylsilane
CID 10539037
2,9-dimethyl-9-phenyl-2,3-dihydrofluorene;ethane
CID 145340582
(1S,3E)-3-benzylidene-1-[(E)-3-phenylprop-2-enyl]-2H-inden-1-ol
CID 101442795
9-methyl-9-(2-methylphenyl)fluorene
CID 14387659

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-5-methyl-5-phenyl-1H-indeno[1,2-c]pyran?
The IUPAC name of (4Z)-4-benzylidene-5-methyl-5-phenyl-1H-indeno[1,2-c]pyran (CID 132555120) is (4Z)-4-benzylidene-5-methyl-5-phenyl-1H-indeno[1,2-c]pyran.
What is the SMILES notation for (4Z)-4-benzylidene-5-methyl-5-phenyl-1H-indeno[1,2-c]pyran?
The canonical SMILES for (4Z)-4-benzylidene-5-methyl-5-phenyl-1H-indeno[1,2-c]pyran is CC1(c2ccccc2)C2=C(COC/C2=C\c2ccccc2)c2ccccc21.
What is the InChIKey of (4Z)-4-benzylidene-5-methyl-5-phenyl-1H-indeno[1,2-c]pyran?
The InChIKey is LBWVHRIYTJJWBK-CAPFRKAQSA-N. The full InChI is InChI=1S/C26H22O/c1-26(21-12-6-3-7-13-21)24-15-9-8-14-22(24)23-18-27-17-20(25(23)26)16-19-10-4-2-5-11-19/h2-16H,17-18H2,1H3/b20-16+.
What are the key properties of (4Z)-4-benzylidene-5-methyl-5-phenyl-1H-indeno[1,2-c]pyran?
(4Z)-4-benzylidene-5-methyl-5-phenyl-1H-indeno[1,2-c]pyran has a molecular weight of 350.46 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-5-methyl-5-phenyl-1H-indeno[1,2-c]pyran is sourced from PubChem (CID 132555120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).