19-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaene

C46H28N4O2 — CID 164940146

IUPAC19-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaene
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3c(ccc5oc6ccccc6c35)C(c3ccccc3)N4)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C46H28N4O2/c1-3-12-27(13-4-1)42-33-23-25-39-41(32-17-8-10-21-38(32)51-39)40(33)35-26-29(22-24-36(35)47-42)45-48-44(28-14-5-2-6-15-28)49-46(50-45)34-19-11-18-31-30-16-7-9-20-37(30)52-43(31)34/h1-26,42,47H
InChIKeyTXFHEMDHJDQYIU-UHFFFAOYSA-N
MW668.76 g/mol
LogP11.85
Rot. Bonds4

About 19-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaene

19-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaene (PubChem CID 164940146) has the molecular formula C46H28N4O2 and a molecular weight of 668.76 g/mol. Its IUPAC name is 19-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaene.

Molecular Properties

Compound Name19-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaene
PubChem CID164940146
Molecular FormulaC46H28N4O2
Molecular Weight668.76 g/mol
Exact Mass668.22
IUPAC Name19-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaene
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3c(ccc5oc6ccccc6c35)C(c3ccccc3)N4)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C46H28N4O2/c1-3-12-27(13-4-1)42-33-23-25-39-41(32-17-8-10-21-38(32)51-39)40(33)35-26-29(22-24-36(35)47-42)45-48-44(28-14-5-2-6-15-28)49-46(50-45)34-19-11-18-31-30-16-7-9-20-37(30)52-43(31)34/h1-26,42,47H
InChIKeyTXFHEMDHJDQYIU-UHFFFAOYSA-N
XLogP11.85
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.76
LogP ≤ 511.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 19-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaene with MolForge

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Related Compounds

2-dibenzofuran-4-yl-4-[7-(2-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741418
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-dibenzofuran-4-yl-1,3,5-triazine
CID 165081213
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-4-yl-4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155077824
2-(7-dibenzofuran-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952829
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 177078939
2-dibenzofuran-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741551
2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166845989
2-dibenzofuran-4-yl-4-phenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199121
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 147201996
2-dibenzofuran-4-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741541
2-dibenzofuran-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952322

Frequently Asked Questions

What is the IUPAC name of 19-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaene?
The IUPAC name of 19-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaene (CID 164940146) is 19-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaene.
What is the SMILES notation for 19-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaene?
The canonical SMILES for 19-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaene is c1ccc(-c2nc(-c3ccc4c(c3)-c3c(ccc5oc6ccccc6c35)C(c3ccccc3)N4)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 19-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaene?
The InChIKey is TXFHEMDHJDQYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O2/c1-3-12-27(13-4-1)42-33-23-25-39-41(32-17-8-10-21-38(32)51-39)40(33)35-26-29(22-24-36(35)47-42)45-48-44(28-14-5-2-6-15-28)49-46(50-45)34-19-11-18-31-30-16-7-9-20-37(30)52-43(31)34/h1-26,42,47H.
What are the key properties of 19-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaene?
19-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaene has a molecular weight of 668.76 g/mol, XLogP of 11.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaene is sourced from PubChem (CID 164940146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).