3-phenyl-2-(9-phenylfluoren-9-yl)thiophene

C29H20S — CID 102099391

IUPAC3-phenyl-2-(9-phenylfluoren-9-yl)thiophene
SMILESc1ccc(-c2ccsc2C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H20S/c1-3-11-21(12-4-1)23-19-20-30-28(23)29(22-13-5-2-6-14-22)26-17-9-7-15-24(26)25-16-8-10-18-27(25)29/h1-20H
InChIKeyDJWGZMMAJDQEFR-UHFFFAOYSA-N
MW400.55 g/mol
LogP7.78
Rot. Bonds3

About 3-phenyl-2-(9-phenylfluoren-9-yl)thiophene

3-phenyl-2-(9-phenylfluoren-9-yl)thiophene (PubChem CID 102099391) has the molecular formula C29H20S and a molecular weight of 400.55 g/mol. Its IUPAC name is 3-phenyl-2-(9-phenylfluoren-9-yl)thiophene.

Molecular Properties

Compound Name3-phenyl-2-(9-phenylfluoren-9-yl)thiophene
PubChem CID102099391
Molecular FormulaC29H20S
Molecular Weight400.55 g/mol
Exact Mass400.13
IUPAC Name3-phenyl-2-(9-phenylfluoren-9-yl)thiophene
SMILESc1ccc(-c2ccsc2C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H20S/c1-3-11-21(12-4-1)23-19-20-30-28(23)29(22-13-5-2-6-14-22)26-17-9-7-15-24(26)25-16-8-10-18-27(25)29/h1-20H
InChIKeyDJWGZMMAJDQEFR-UHFFFAOYSA-N
XLogP7.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(9-phenylfluoren-9-yl)thiophene?
The IUPAC name of 3-phenyl-2-(9-phenylfluoren-9-yl)thiophene (CID 102099391) is 3-phenyl-2-(9-phenylfluoren-9-yl)thiophene.
What is the SMILES notation for 3-phenyl-2-(9-phenylfluoren-9-yl)thiophene?
The canonical SMILES for 3-phenyl-2-(9-phenylfluoren-9-yl)thiophene is c1ccc(-c2ccsc2C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 3-phenyl-2-(9-phenylfluoren-9-yl)thiophene?
The InChIKey is DJWGZMMAJDQEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20S/c1-3-11-21(12-4-1)23-19-20-30-28(23)29(22-13-5-2-6-14-22)26-17-9-7-15-24(26)25-16-8-10-18-27(25)29/h1-20H.
What are the key properties of 3-phenyl-2-(9-phenylfluoren-9-yl)thiophene?
3-phenyl-2-(9-phenylfluoren-9-yl)thiophene has a molecular weight of 400.55 g/mol, XLogP of 7.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(9-phenylfluoren-9-yl)thiophene is sourced from PubChem (CID 102099391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).