12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

C46H26N4O2 — CID 166502522

IUPAC12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3-c3cncc4oc5cc6ccccc6cc5c34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C46H26N4O2/c1-2-12-28(13-3-1)44-48-45(33-18-10-20-38-42(33)32-17-8-9-19-37(32)51-38)50-46(49-44)34-22-21-27-11-6-7-16-31(27)41(34)36-25-47-26-40-43(36)35-23-29-14-4-5-15-30(29)24-39(35)52-40/h1-26H
InChIKeyNNLPGVWWJCENBI-UHFFFAOYSA-N
MW666.74 g/mol
LogP12.04
Rot. Bonds4

About 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (PubChem CID 166502522) has the molecular formula C46H26N4O2 and a molecular weight of 666.74 g/mol. Its IUPAC name is 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.

Molecular Properties

Compound Name12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
PubChem CID166502522
Molecular FormulaC46H26N4O2
Molecular Weight666.74 g/mol
Exact Mass666.21
IUPAC Name12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3-c3cncc4oc5cc6ccccc6cc5c34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C46H26N4O2/c1-2-12-28(13-3-1)44-48-45(33-18-10-20-38-42(33)32-17-8-9-19-37(32)51-38)50-46(49-44)34-22-21-27-11-6-7-16-31(27)41(34)36-25-47-26-40-43(36)35-23-29-14-4-5-15-30(29)24-39(35)52-40/h1-26H
InChIKeyNNLPGVWWJCENBI-UHFFFAOYSA-N
XLogP12.04
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.74
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene with MolForge

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Related Compounds

4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine
CID 168785016
4-[4-dibenzofuran-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785513
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 168731826
4-[4-(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785590
8-dibenzofuran-4-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 168785189
4-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785129
7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline
CID 166502685
4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785254
2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 163727437
8-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 168785372
2-dibenzofuran-1-yl-4-phenyl-6-[4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 176766406
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-3-yl-[1]benzofuro[2,3-c]pyridine
CID 168785628

Frequently Asked Questions

What is the IUPAC name of 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The IUPAC name of 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (CID 166502522) is 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.
What is the SMILES notation for 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The canonical SMILES for 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is c1ccc(-c2nc(-c3ccc4ccccc4c3-c3cncc4oc5cc6ccccc6cc5c34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The InChIKey is NNLPGVWWJCENBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N4O2/c1-2-12-28(13-3-1)44-48-45(33-18-10-20-38-42(33)32-17-8-9-19-37(32)51-38)50-46(49-44)34-22-21-27-11-6-7-16-31(27)41(34)36-25-47-26-40-43(36)35-23-29-14-4-5-15-30(29)24-39(35)52-40/h1-26H.
What are the key properties of 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene has a molecular weight of 666.74 g/mol, XLogP of 12.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is sourced from PubChem (CID 166502522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).