3-(5-methylthiophen-2-yl)-3-[(E)-2-phenylethenyl]benzo[f]chromene

C26H20OS — CID 19733874

IUPAC3-(5-methylthiophen-2-yl)-3-[(E)-2-phenylethenyl]benzo[f]chromene
SMILESCc1ccc(C2(/C=C/c3ccccc3)C=Cc3c(ccc4ccccc34)O2)s1
InChIInChI=1S/C26H20OS/c1-19-11-14-25(28-19)26(17-15-20-7-3-2-4-8-20)18-16-23-22-10-6-5-9-21(22)12-13-24(23)27-26/h2-18H,1H3/b17-15+
InChIKeyUPMWZVQRGFOPAT-BMRADRMJSA-N
MW380.51 g/mol
LogP7.22
Rot. Bonds3

About 3-(5-methylthiophen-2-yl)-3-[(E)-2-phenylethenyl]benzo[f]chromene

3-(5-methylthiophen-2-yl)-3-[(E)-2-phenylethenyl]benzo[f]chromene (PubChem CID 19733874) has the molecular formula C26H20OS and a molecular weight of 380.51 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)-3-[(E)-2-phenylethenyl]benzo[f]chromene.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)-3-[(E)-2-phenylethenyl]benzo[f]chromene
PubChem CID19733874
Molecular FormulaC26H20OS
Molecular Weight380.51 g/mol
Exact Mass380.12
IUPAC Name3-(5-methylthiophen-2-yl)-3-[(E)-2-phenylethenyl]benzo[f]chromene
SMILESCc1ccc(C2(/C=C/c3ccccc3)C=Cc3c(ccc4ccccc34)O2)s1
InChIInChI=1S/C26H20OS/c1-19-11-14-25(28-19)26(17-15-20-7-3-2-4-8-20)18-16-23-22-10-6-5-9-21(22)12-13-24(23)27-26/h2-18H,1H3/b17-15+
InChIKeyUPMWZVQRGFOPAT-BMRADRMJSA-N
XLogP7.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)-3-[(E)-2-phenylethenyl]benzo[f]chromene?
The IUPAC name of 3-(5-methylthiophen-2-yl)-3-[(E)-2-phenylethenyl]benzo[f]chromene (CID 19733874) is 3-(5-methylthiophen-2-yl)-3-[(E)-2-phenylethenyl]benzo[f]chromene.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)-3-[(E)-2-phenylethenyl]benzo[f]chromene?
The canonical SMILES for 3-(5-methylthiophen-2-yl)-3-[(E)-2-phenylethenyl]benzo[f]chromene is Cc1ccc(C2(/C=C/c3ccccc3)C=Cc3c(ccc4ccccc34)O2)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)-3-[(E)-2-phenylethenyl]benzo[f]chromene?
The InChIKey is UPMWZVQRGFOPAT-BMRADRMJSA-N. The full InChI is InChI=1S/C26H20OS/c1-19-11-14-25(28-19)26(17-15-20-7-3-2-4-8-20)18-16-23-22-10-6-5-9-21(22)12-13-24(23)27-26/h2-18H,1H3/b17-15+.
What are the key properties of 3-(5-methylthiophen-2-yl)-3-[(E)-2-phenylethenyl]benzo[f]chromene?
3-(5-methylthiophen-2-yl)-3-[(E)-2-phenylethenyl]benzo[f]chromene has a molecular weight of 380.51 g/mol, XLogP of 7.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)-3-[(E)-2-phenylethenyl]benzo[f]chromene is sourced from PubChem (CID 19733874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).