3-phenyl-3-[(E)-2-thiophen-2-ylethenyl]benzo[f]chromene

C25H18OS — CID 19733871

IUPAC3-phenyl-3-[(E)-2-thiophen-2-ylethenyl]benzo[f]chromene
SMILESC1=CC(/C=C/c2cccs2)(c2ccccc2)Oc2ccc3ccccc3c21
InChIInChI=1S/C25H18OS/c1-2-8-20(9-3-1)25(16-14-21-10-6-18-27-21)17-15-23-22-11-5-4-7-19(22)12-13-24(23)26-25/h1-18H/b16-14+
InChIKeyNDSUKNPYPRBFAU-JQIJEIRASA-N
MW366.49 g/mol
LogP6.92
Rot. Bonds3

About 3-phenyl-3-[(E)-2-thiophen-2-ylethenyl]benzo[f]chromene

3-phenyl-3-[(E)-2-thiophen-2-ylethenyl]benzo[f]chromene (PubChem CID 19733871) has the molecular formula C25H18OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 3-phenyl-3-[(E)-2-thiophen-2-ylethenyl]benzo[f]chromene.

Molecular Properties

Compound Name3-phenyl-3-[(E)-2-thiophen-2-ylethenyl]benzo[f]chromene
PubChem CID19733871
Molecular FormulaC25H18OS
Molecular Weight366.49 g/mol
Exact Mass366.11
IUPAC Name3-phenyl-3-[(E)-2-thiophen-2-ylethenyl]benzo[f]chromene
SMILESC1=CC(/C=C/c2cccs2)(c2ccccc2)Oc2ccc3ccccc3c21
InChIInChI=1S/C25H18OS/c1-2-8-20(9-3-1)25(16-14-21-10-6-18-27-21)17-15-23-22-11-5-4-7-19(22)12-13-24(23)26-25/h1-18H/b16-14+
InChIKeyNDSUKNPYPRBFAU-JQIJEIRASA-N
XLogP6.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-[(E)-2-thiophen-2-ylethenyl]benzo[f]chromene?
The IUPAC name of 3-phenyl-3-[(E)-2-thiophen-2-ylethenyl]benzo[f]chromene (CID 19733871) is 3-phenyl-3-[(E)-2-thiophen-2-ylethenyl]benzo[f]chromene.
What is the SMILES notation for 3-phenyl-3-[(E)-2-thiophen-2-ylethenyl]benzo[f]chromene?
The canonical SMILES for 3-phenyl-3-[(E)-2-thiophen-2-ylethenyl]benzo[f]chromene is C1=CC(/C=C/c2cccs2)(c2ccccc2)Oc2ccc3ccccc3c21.
What is the InChIKey of 3-phenyl-3-[(E)-2-thiophen-2-ylethenyl]benzo[f]chromene?
The InChIKey is NDSUKNPYPRBFAU-JQIJEIRASA-N. The full InChI is InChI=1S/C25H18OS/c1-2-8-20(9-3-1)25(16-14-21-10-6-18-27-21)17-15-23-22-11-5-4-7-19(22)12-13-24(23)26-25/h1-18H/b16-14+.
What are the key properties of 3-phenyl-3-[(E)-2-thiophen-2-ylethenyl]benzo[f]chromene?
3-phenyl-3-[(E)-2-thiophen-2-ylethenyl]benzo[f]chromene has a molecular weight of 366.49 g/mol, XLogP of 6.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-[(E)-2-thiophen-2-ylethenyl]benzo[f]chromene is sourced from PubChem (CID 19733871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).