2-(4-fluorophenyl)-6-(16-oxa-24-thiahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaen-18-yl)-4-(4-phenylphenyl)pyridine

C45H26FNOS — CID 162700665

IUPAC2-(4-fluorophenyl)-6-(16-oxa-24-thiahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaen-18-yl)-4-(4-phenylphenyl)pyridine
SMILESFc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc4sc5cccc6c7ccc8ccccc8c7oc3c4c56)n2)cc1
InChIInChI=1S/C45H26FNOS/c46-33-20-17-31(18-21-33)38-25-32(29-15-13-28(14-16-29)27-7-2-1-3-8-27)26-39(47-38)37-23-24-41-43-42-35(11-6-12-40(42)49-41)36-22-19-30-9-4-5-10-34(30)44(36)48-45(37)43/h1-26H
InChIKeyAXAYCHAOQPABFZ-UHFFFAOYSA-N
MW647.77 g/mol
LogP13.31
Rot. Bonds4

About 2-(4-fluorophenyl)-6-(16-oxa-24-thiahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaen-18-yl)-4-(4-phenylphenyl)pyridine

2-(4-fluorophenyl)-6-(16-oxa-24-thiahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaen-18-yl)-4-(4-phenylphenyl)pyridine (PubChem CID 162700665) has the molecular formula C45H26FNOS and a molecular weight of 647.77 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-(16-oxa-24-thiahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaen-18-yl)-4-(4-phenylphenyl)pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-(16-oxa-24-thiahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaen-18-yl)-4-(4-phenylphenyl)pyridine
PubChem CID162700665
Molecular FormulaC45H26FNOS
Molecular Weight647.77 g/mol
Exact Mass647.17
IUPAC Name2-(4-fluorophenyl)-6-(16-oxa-24-thiahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaen-18-yl)-4-(4-phenylphenyl)pyridine
SMILESFc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc4sc5cccc6c7ccc8ccccc8c7oc3c4c56)n2)cc1
InChIInChI=1S/C45H26FNOS/c46-33-20-17-31(18-21-33)38-25-32(29-15-13-28(14-16-29)27-7-2-1-3-8-27)26-39(47-38)37-23-24-41-43-42-35(11-6-12-40(42)49-41)36-22-19-30-9-4-5-10-34(30)44(36)48-45(37)43/h1-26H
InChIKeyAXAYCHAOQPABFZ-UHFFFAOYSA-N
XLogP13.31
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.77
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-6-(16-oxa-24-thiahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaen-18-yl)-4-(4-phenylphenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-(16-oxa-24-thiahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaen-18-yl)-4-(4-phenylphenyl)pyridine?
The IUPAC name of 2-(4-fluorophenyl)-6-(16-oxa-24-thiahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaen-18-yl)-4-(4-phenylphenyl)pyridine (CID 162700665) is 2-(4-fluorophenyl)-6-(16-oxa-24-thiahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaen-18-yl)-4-(4-phenylphenyl)pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-(16-oxa-24-thiahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaen-18-yl)-4-(4-phenylphenyl)pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-6-(16-oxa-24-thiahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaen-18-yl)-4-(4-phenylphenyl)pyridine is Fc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc4sc5cccc6c7ccc8ccccc8c7oc3c4c56)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-(16-oxa-24-thiahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaen-18-yl)-4-(4-phenylphenyl)pyridine?
The InChIKey is AXAYCHAOQPABFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26FNOS/c46-33-20-17-31(18-21-33)38-25-32(29-15-13-28(14-16-29)27-7-2-1-3-8-27)26-39(47-38)37-23-24-41-43-42-35(11-6-12-40(42)49-41)36-22-19-30-9-4-5-10-34(30)44(36)48-45(37)43/h1-26H.
What are the key properties of 2-(4-fluorophenyl)-6-(16-oxa-24-thiahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaen-18-yl)-4-(4-phenylphenyl)pyridine?
2-(4-fluorophenyl)-6-(16-oxa-24-thiahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaen-18-yl)-4-(4-phenylphenyl)pyridine has a molecular weight of 647.77 g/mol, XLogP of 13.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-(16-oxa-24-thiahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17,19,21-undecaen-18-yl)-4-(4-phenylphenyl)pyridine is sourced from PubChem (CID 162700665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).