14-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene

C52H31N3O2 — CID 148743768

IUPAC14-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene
SMILESc1ccc(-c2nc3ccc(-c4cccc(-c5ccc6c7c5Oc5cc8ccccc8cc5N7c5cc7ccccc7cc5O6)c4)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C52H31N3O2/c1-3-12-32(13-4-1)49-50(33-14-5-2-6-15-33)54-43-27-39(22-24-42(43)53-49)34-20-11-21-40(26-34)41-23-25-46-51-52(41)57-48-31-38-19-10-8-17-36(38)29-45(48)55(51)44-28-35-16-7-9-18-37(35)30-47(44)56-46/h1-31H
InChIKeyODJBBFZYCYHRDE-UHFFFAOYSA-N
MW729.84 g/mol
LogP14.29
Rot. Bonds4

About 14-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene

14-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene (PubChem CID 148743768) has the molecular formula C52H31N3O2 and a molecular weight of 729.84 g/mol. Its IUPAC name is 14-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene.

Molecular Properties

Compound Name14-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene
PubChem CID148743768
Molecular FormulaC52H31N3O2
Molecular Weight729.84 g/mol
Exact Mass729.24
IUPAC Name14-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene
SMILESc1ccc(-c2nc3ccc(-c4cccc(-c5ccc6c7c5Oc5cc8ccccc8cc5N7c5cc7ccccc7cc5O6)c4)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C52H31N3O2/c1-3-12-32(13-4-1)49-50(33-14-5-2-6-15-33)54-43-27-39(22-24-42(43)53-49)34-20-11-21-40(26-34)41-23-25-46-51-52(41)57-48-31-38-19-10-8-17-36(38)29-45(48)55(51)44-28-35-16-7-9-18-37(35)30-47(44)56-46/h1-31H
InChIKeyODJBBFZYCYHRDE-UHFFFAOYSA-N
XLogP14.29
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.84
LogP ≤ 514.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene 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 14-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene?
The IUPAC name of 14-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene (CID 148743768) is 14-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene.
What is the SMILES notation for 14-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene?
The canonical SMILES for 14-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene is c1ccc(-c2nc3ccc(-c4cccc(-c5ccc6c7c5Oc5cc8ccccc8cc5N7c5cc7ccccc7cc5O6)c4)cc3nc2-c2ccccc2)cc1.
What is the InChIKey of 14-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene?
The InChIKey is ODJBBFZYCYHRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3O2/c1-3-12-32(13-4-1)49-50(33-14-5-2-6-15-33)54-43-27-39(22-24-42(43)53-49)34-20-11-21-40(26-34)41-23-25-46-51-52(41)57-48-31-38-19-10-8-17-36(38)29-45(48)55(51)44-28-35-16-7-9-18-37(35)30-47(44)56-46/h1-31H.
What are the key properties of 14-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene?
14-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene has a molecular weight of 729.84 g/mol, XLogP of 14.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene is sourced from PubChem (CID 148743768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).