9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate

C25H16O3S — CID 7253140

IUPAC9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESO=C(OC1c2ccccc2-c2ccccc21)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C25H16O3S/c26-25(22-13-15-14-27-21-12-6-5-11-20(21)24(15)29-22)28-23-18-9-3-1-7-16(18)17-8-2-4-10-19(17)23/h1-13,23H,14H2
InChIKeyPOIJSDAALCMTTQ-UHFFFAOYSA-N
MW396.47 g/mol
LogP6.23
Rot. Bonds2

About 9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate

9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate (PubChem CID 7253140) has the molecular formula C25H16O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate
PubChem CID7253140
Molecular FormulaC25H16O3S
Molecular Weight396.47 g/mol
Exact Mass396.08
IUPAC Name9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESO=C(OC1c2ccccc2-c2ccccc21)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C25H16O3S/c26-25(22-13-15-14-27-21-12-6-5-11-20(21)24(15)29-22)28-23-18-9-3-1-7-16(18)17-8-2-4-10-19(17)23/h1-13,23H,14H2
InChIKeyPOIJSDAALCMTTQ-UHFFFAOYSA-N
XLogP6.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.47
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-oxocyclopentyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7621467
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
N-(2,3-dihydro-1H-inden-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 46171578
[2-(tert-butylamino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253097
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate
CID 18147272
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 41228226
[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7621393
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7621400
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 18104059
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253191
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 18104061
[2-(4-acetamidoanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 16512837

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate?
The IUPAC name of 9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate (CID 7253140) is 9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate.
What is the SMILES notation for 9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate?
The canonical SMILES for 9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate is O=C(OC1c2ccccc2-c2ccccc21)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of 9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate?
The InChIKey is POIJSDAALCMTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16O3S/c26-25(22-13-15-14-27-21-12-6-5-11-20(21)24(15)29-22)28-23-18-9-3-1-7-16(18)17-8-2-4-10-19(17)23/h1-13,23H,14H2.
What are the key properties of 9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate?
9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate has a molecular weight of 396.47 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate is sourced from PubChem (CID 7253140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).