4-(4-fluorophenyl)-2-phenylthieno[3,2-b]indole

C22H14FNS — CID 164669911

IUPAC4-(4-fluorophenyl)-2-phenylthieno[3,2-b]indole
SMILESFc1ccc(-n2c3ccccc3c3sc(-c4ccccc4)cc32)cc1
InChIInChI=1S/C22H14FNS/c23-16-10-12-17(13-11-16)24-19-9-5-4-8-18(19)22-20(24)14-21(25-22)15-6-2-1-3-7-15/h1-14H
InChIKeyAYUFULMGFYAUDI-UHFFFAOYSA-N
MW343.43 g/mol
LogP6.65
Rot. Bonds2

About 4-(4-fluorophenyl)-2-phenylthieno[3,2-b]indole

4-(4-fluorophenyl)-2-phenylthieno[3,2-b]indole (PubChem CID 164669911) has the molecular formula C22H14FNS and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-phenylthieno[3,2-b]indole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-phenylthieno[3,2-b]indole
PubChem CID164669911
Molecular FormulaC22H14FNS
Molecular Weight343.43 g/mol
Exact Mass343.08
IUPAC Name4-(4-fluorophenyl)-2-phenylthieno[3,2-b]indole
SMILESFc1ccc(-n2c3ccccc3c3sc(-c4ccccc4)cc32)cc1
InChIInChI=1S/C22H14FNS/c23-16-10-12-17(13-11-16)24-19-9-5-4-8-18(19)22-20(24)14-21(25-22)15-6-2-1-3-7-15/h1-14H
InChIKeyAYUFULMGFYAUDI-UHFFFAOYSA-N
XLogP6.65
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-phenylthieno[3,2-b]indole?
The IUPAC name of 4-(4-fluorophenyl)-2-phenylthieno[3,2-b]indole (CID 164669911) is 4-(4-fluorophenyl)-2-phenylthieno[3,2-b]indole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-phenylthieno[3,2-b]indole?
The canonical SMILES for 4-(4-fluorophenyl)-2-phenylthieno[3,2-b]indole is Fc1ccc(-n2c3ccccc3c3sc(-c4ccccc4)cc32)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-phenylthieno[3,2-b]indole?
The InChIKey is AYUFULMGFYAUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FNS/c23-16-10-12-17(13-11-16)24-19-9-5-4-8-18(19)22-20(24)14-21(25-22)15-6-2-1-3-7-15/h1-14H.
What are the key properties of 4-(4-fluorophenyl)-2-phenylthieno[3,2-b]indole?
4-(4-fluorophenyl)-2-phenylthieno[3,2-b]indole has a molecular weight of 343.43 g/mol, XLogP of 6.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-phenylthieno[3,2-b]indole is sourced from PubChem (CID 164669911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).