3-phenyl-2-[9-(3-phenylthiophen-2-yl)fluoren-9-yl]thiophene

C33H22S2 — CID 101400506

IUPAC3-phenyl-2-[9-(3-phenylthiophen-2-yl)fluoren-9-yl]thiophene
SMILESc1ccc(-c2ccsc2C2(c3sccc3-c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C33H22S2/c1-3-11-23(12-4-1)25-19-21-34-31(25)33(32-26(20-22-35-32)24-13-5-2-6-14-24)29-17-9-7-15-27(29)28-16-8-10-18-30(28)33/h1-22H
InChIKeyKRDHTQBFJQAXGE-UHFFFAOYSA-N
MW482.67 g/mol
LogP9.51
Rot. Bonds4

About 3-phenyl-2-[9-(3-phenylthiophen-2-yl)fluoren-9-yl]thiophene

3-phenyl-2-[9-(3-phenylthiophen-2-yl)fluoren-9-yl]thiophene (PubChem CID 101400506) has the molecular formula C33H22S2 and a molecular weight of 482.67 g/mol. Its IUPAC name is 3-phenyl-2-[9-(3-phenylthiophen-2-yl)fluoren-9-yl]thiophene.

Molecular Properties

Compound Name3-phenyl-2-[9-(3-phenylthiophen-2-yl)fluoren-9-yl]thiophene
PubChem CID101400506
Molecular FormulaC33H22S2
Molecular Weight482.67 g/mol
Exact Mass482.12
IUPAC Name3-phenyl-2-[9-(3-phenylthiophen-2-yl)fluoren-9-yl]thiophene
SMILESc1ccc(-c2ccsc2C2(c3sccc3-c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C33H22S2/c1-3-11-23(12-4-1)25-19-21-34-31(25)33(32-26(20-22-35-32)24-13-5-2-6-14-24)29-17-9-7-15-27(29)28-16-8-10-18-30(28)33/h1-22H
InChIKeyKRDHTQBFJQAXGE-UHFFFAOYSA-N
XLogP9.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[9-(3-phenylthiophen-2-yl)fluoren-9-yl]thiophene?
The IUPAC name of 3-phenyl-2-[9-(3-phenylthiophen-2-yl)fluoren-9-yl]thiophene (CID 101400506) is 3-phenyl-2-[9-(3-phenylthiophen-2-yl)fluoren-9-yl]thiophene.
What is the SMILES notation for 3-phenyl-2-[9-(3-phenylthiophen-2-yl)fluoren-9-yl]thiophene?
The canonical SMILES for 3-phenyl-2-[9-(3-phenylthiophen-2-yl)fluoren-9-yl]thiophene is c1ccc(-c2ccsc2C2(c3sccc3-c3ccccc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 3-phenyl-2-[9-(3-phenylthiophen-2-yl)fluoren-9-yl]thiophene?
The InChIKey is KRDHTQBFJQAXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22S2/c1-3-11-23(12-4-1)25-19-21-34-31(25)33(32-26(20-22-35-32)24-13-5-2-6-14-24)29-17-9-7-15-27(29)28-16-8-10-18-30(28)33/h1-22H.
What are the key properties of 3-phenyl-2-[9-(3-phenylthiophen-2-yl)fluoren-9-yl]thiophene?
3-phenyl-2-[9-(3-phenylthiophen-2-yl)fluoren-9-yl]thiophene has a molecular weight of 482.67 g/mol, XLogP of 9.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[9-(3-phenylthiophen-2-yl)fluoren-9-yl]thiophene is sourced from PubChem (CID 101400506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).