2-[5-[5-(9-oxofluoren-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-one

C34H18O2S2 — CID 86020622

IUPAC2-[5-[5-(9-oxofluoren-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-one
SMILESO=C1c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(=O)c5ccccc5-6)s4)s3)cc21
InChIInChI=1S/C34H18O2S2/c35-33-25-7-3-1-5-21(25)23-11-9-19(17-27(23)33)29-13-15-31(37-29)32-16-14-30(38-32)20-10-12-24-22-6-2-4-8-26(22)34(36)28(24)18-20/h1-18H
InChIKeyXGZRROLJSGWETN-UHFFFAOYSA-N
MW522.65 g/mol
LogP9.23
Rot. Bonds3

About 2-[5-[5-(9-oxofluoren-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-one

2-[5-[5-(9-oxofluoren-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-one (PubChem CID 86020622) has the molecular formula C34H18O2S2 and a molecular weight of 522.65 g/mol. Its IUPAC name is 2-[5-[5-(9-oxofluoren-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-one.

Molecular Properties

Compound Name2-[5-[5-(9-oxofluoren-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-one
PubChem CID86020622
Molecular FormulaC34H18O2S2
Molecular Weight522.65 g/mol
Exact Mass522.07
IUPAC Name2-[5-[5-(9-oxofluoren-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-one
SMILESO=C1c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(=O)c5ccccc5-6)s4)s3)cc21
InChIInChI=1S/C34H18O2S2/c35-33-25-7-3-1-5-21(25)23-11-9-19(17-27(23)33)29-13-15-31(37-29)32-16-14-30(38-32)20-10-12-24-22-6-2-4-8-26(22)34(36)28(24)18-20/h1-18H
InChIKeyXGZRROLJSGWETN-UHFFFAOYSA-N
XLogP9.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(9-oxofluoren-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-one?
The IUPAC name of 2-[5-[5-(9-oxofluoren-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-one (CID 86020622) is 2-[5-[5-(9-oxofluoren-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-one.
What is the SMILES notation for 2-[5-[5-(9-oxofluoren-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-one?
The canonical SMILES for 2-[5-[5-(9-oxofluoren-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-one is O=C1c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(=O)c5ccccc5-6)s4)s3)cc21.
What is the InChIKey of 2-[5-[5-(9-oxofluoren-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-one?
The InChIKey is XGZRROLJSGWETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18O2S2/c35-33-25-7-3-1-5-21(25)23-11-9-19(17-27(23)33)29-13-15-31(37-29)32-16-14-30(38-32)20-10-12-24-22-6-2-4-8-26(22)34(36)28(24)18-20/h1-18H.
What are the key properties of 2-[5-[5-(9-oxofluoren-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-one?
2-[5-[5-(9-oxofluoren-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-one has a molecular weight of 522.65 g/mol, XLogP of 9.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(9-oxofluoren-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-one is sourced from PubChem (CID 86020622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).