2-[5-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]-2-pyridinyl]-1,3-benzothiazole

C34H21FN2S — CID 166850100

IUPAC2-[5-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]-2-pyridinyl]-1,3-benzothiazole
SMILESFc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6nc7ccccc7s6)nc5)ccc4c3)cc2)cc1
InChIInChI=1S/C34H21FN2S/c35-30-16-13-23(14-17-30)22-5-7-24(8-6-22)25-9-10-27-20-28(12-11-26(27)19-25)29-15-18-32(36-21-29)34-37-31-3-1-2-4-33(31)38-34/h1-21H
InChIKeyQYLFYOBZIVHNMU-UHFFFAOYSA-N
MW508.62 g/mol
LogP9.65
Rot. Bonds4

About 2-[5-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]-2-pyridinyl]-1,3-benzothiazole

2-[5-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]-2-pyridinyl]-1,3-benzothiazole (PubChem CID 166850100) has the molecular formula C34H21FN2S and a molecular weight of 508.62 g/mol. Its IUPAC name is 2-[5-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]-2-pyridinyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[5-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]-2-pyridinyl]-1,3-benzothiazole
PubChem CID166850100
Molecular FormulaC34H21FN2S
Molecular Weight508.62 g/mol
Exact Mass508.14
IUPAC Name2-[5-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]-2-pyridinyl]-1,3-benzothiazole
SMILESFc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6nc7ccccc7s6)nc5)ccc4c3)cc2)cc1
InChIInChI=1S/C34H21FN2S/c35-30-16-13-23(14-17-30)22-5-7-24(8-6-22)25-9-10-27-20-28(12-11-26(27)19-25)29-15-18-32(36-21-29)34-37-31-3-1-2-4-33(31)38-34/h1-21H
InChIKeyQYLFYOBZIVHNMU-UHFFFAOYSA-N
XLogP9.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]-2-pyridinyl]-1,3-benzothiazole?
The IUPAC name of 2-[5-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]-2-pyridinyl]-1,3-benzothiazole (CID 166850100) is 2-[5-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]-2-pyridinyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[5-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]-2-pyridinyl]-1,3-benzothiazole?
The canonical SMILES for 2-[5-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]-2-pyridinyl]-1,3-benzothiazole is Fc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6nc7ccccc7s6)nc5)ccc4c3)cc2)cc1.
What is the InChIKey of 2-[5-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]-2-pyridinyl]-1,3-benzothiazole?
The InChIKey is QYLFYOBZIVHNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21FN2S/c35-30-16-13-23(14-17-30)22-5-7-24(8-6-22)25-9-10-27-20-28(12-11-26(27)19-25)29-15-18-32(36-21-29)34-37-31-3-1-2-4-33(31)38-34/h1-21H.
What are the key properties of 2-[5-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]-2-pyridinyl]-1,3-benzothiazole?
2-[5-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]-2-pyridinyl]-1,3-benzothiazole has a molecular weight of 508.62 g/mol, XLogP of 9.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]-2-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 166850100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).