13-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-17-oxa-2,4,6,9,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

C43H23N5O2 — CID 121340884

IUPAC13-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-17-oxa-2,4,6,9,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4c5ccccc5c(-c5cc6c(cn5)oc5nc7ncncc7nc56)c5ccccc45)cc3)cc12
InChIInChI=1S/C43H23N5O2/c1-3-10-30-28(8-1)39(25-15-13-24(14-16-25)26-17-18-37-32(19-26)27-7-5-6-12-36(27)49-37)29-9-2-4-11-31(29)40(30)34-20-33-38(22-45-34)50-43-41(33)47-35-21-44-23-46-42(35)48-43/h1-23H
InChIKeyJESSXPPAHJRCBV-UHFFFAOYSA-N
MW641.69 g/mol
LogP10.92
Rot. Bonds3

About 13-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-17-oxa-2,4,6,9,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

13-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-17-oxa-2,4,6,9,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 121340884) has the molecular formula C43H23N5O2 and a molecular weight of 641.69 g/mol. Its IUPAC name is 13-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-17-oxa-2,4,6,9,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name13-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-17-oxa-2,4,6,9,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID121340884
Molecular FormulaC43H23N5O2
Molecular Weight641.69 g/mol
Exact Mass641.19
IUPAC Name13-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-17-oxa-2,4,6,9,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4c5ccccc5c(-c5cc6c(cn5)oc5nc7ncncc7nc56)c5ccccc45)cc3)cc12
InChIInChI=1S/C43H23N5O2/c1-3-10-30-28(8-1)39(25-15-13-24(14-16-25)26-17-18-37-32(19-26)27-7-5-6-12-36(27)49-37)29-9-2-4-11-31(29)40(30)34-20-33-38(22-45-34)50-43-41(33)47-35-21-44-23-46-42(35)48-43/h1-23H
InChIKeyJESSXPPAHJRCBV-UHFFFAOYSA-N
XLogP10.92
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.69
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 13-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-17-oxa-2,4,6,9,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene 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 13-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-17-oxa-2,4,6,9,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of 13-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-17-oxa-2,4,6,9,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (CID 121340884) is 13-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-17-oxa-2,4,6,9,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for 13-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-17-oxa-2,4,6,9,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for 13-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-17-oxa-2,4,6,9,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is c1ccc2c(c1)oc1ccc(-c3ccc(-c4c5ccccc5c(-c5cc6c(cn5)oc5nc7ncncc7nc56)c5ccccc45)cc3)cc12.
What is the InChIKey of 13-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-17-oxa-2,4,6,9,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is JESSXPPAHJRCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H23N5O2/c1-3-10-30-28(8-1)39(25-15-13-24(14-16-25)26-17-18-37-32(19-26)27-7-5-6-12-36(27)49-37)29-9-2-4-11-31(29)40(30)34-20-33-38(22-45-34)50-43-41(33)47-35-21-44-23-46-42(35)48-43/h1-23H.
What are the key properties of 13-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-17-oxa-2,4,6,9,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
13-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-17-oxa-2,4,6,9,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 641.69 g/mol, XLogP of 10.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-17-oxa-2,4,6,9,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 121340884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).