4-[10-(2,6-difluoro-3-pyridinyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene

C32H17F2N3O — CID 134388991

IUPAC4-[10-(2,6-difluoro-3-pyridinyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
SMILESFc1ccc(-c2c3ccccc3c(-c3ccc4nc5c6ccccc6oc5n4c3)c3ccccc23)c(F)n1
InChIInChI=1S/C32H17F2N3O/c33-26-15-14-24(31(34)35-26)29-21-9-3-1-7-19(21)28(20-8-2-4-10-22(20)29)18-13-16-27-36-30-23-11-5-6-12-25(23)38-32(30)37(27)17-18/h1-17H
InChIKeyPSQFQXDOFAJWDF-UHFFFAOYSA-N
MW497.50 g/mol
LogP8.55
Rot. Bonds2

About 4-[10-(2,6-difluoro-3-pyridinyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene

4-[10-(2,6-difluoro-3-pyridinyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (PubChem CID 134388991) has the molecular formula C32H17F2N3O and a molecular weight of 497.50 g/mol. Its IUPAC name is 4-[10-(2,6-difluoro-3-pyridinyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.

Molecular Properties

Compound Name4-[10-(2,6-difluoro-3-pyridinyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
PubChem CID134388991
Molecular FormulaC32H17F2N3O
Molecular Weight497.50 g/mol
Exact Mass497.13
IUPAC Name4-[10-(2,6-difluoro-3-pyridinyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
SMILESFc1ccc(-c2c3ccccc3c(-c3ccc4nc5c6ccccc6oc5n4c3)c3ccccc23)c(F)n1
InChIInChI=1S/C32H17F2N3O/c33-26-15-14-24(31(34)35-26)29-21-9-3-1-7-19(21)28(20-8-2-4-10-22(20)29)18-13-16-27-36-30-23-11-5-6-12-25(23)38-32(30)37(27)17-18/h1-17H
InChIKeyPSQFQXDOFAJWDF-UHFFFAOYSA-N
XLogP8.55
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.50
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-[10-(2,6-difluoro-3-pyridinyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene 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 4-[10-(2,6-difluoro-3-pyridinyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The IUPAC name of 4-[10-(2,6-difluoro-3-pyridinyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (CID 134388991) is 4-[10-(2,6-difluoro-3-pyridinyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.
What is the SMILES notation for 4-[10-(2,6-difluoro-3-pyridinyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The canonical SMILES for 4-[10-(2,6-difluoro-3-pyridinyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is Fc1ccc(-c2c3ccccc3c(-c3ccc4nc5c6ccccc6oc5n4c3)c3ccccc23)c(F)n1.
What is the InChIKey of 4-[10-(2,6-difluoro-3-pyridinyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The InChIKey is PSQFQXDOFAJWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H17F2N3O/c33-26-15-14-24(31(34)35-26)29-21-9-3-1-7-19(21)28(20-8-2-4-10-22(20)29)18-13-16-27-36-30-23-11-5-6-12-25(23)38-32(30)37(27)17-18/h1-17H.
What are the key properties of 4-[10-(2,6-difluoro-3-pyridinyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
4-[10-(2,6-difluoro-3-pyridinyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene has a molecular weight of 497.50 g/mol, XLogP of 8.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(2,6-difluoro-3-pyridinyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is sourced from PubChem (CID 134388991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).