2-dibenzofuran-2-yl-4-(14-methyl-14-propan-2-yl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazine

C44H31N3O2 — CID 134237841

IUPAC2-dibenzofuran-2-yl-4-(14-methyl-14-propan-2-yl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazine
SMILESCC(C)C1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccccc6c5c4)n3)ccc2-c2c1ccc1oc3ccccc3c21
InChIInChI=1S/C44H31N3O2/c1-25(2)44(3)33-20-22-38-40(31-14-8-10-16-36(31)49-38)39(33)30-19-17-28(24-34(30)44)43-46-41(26-11-5-4-6-12-26)45-42(47-43)27-18-21-37-32(23-27)29-13-7-9-15-35(29)48-37/h4-25H,1-3H3
InChIKeyHHARGGYZLXXSOJ-UHFFFAOYSA-N
MW633.75 g/mol
LogP11.61
Rot. Bonds4

About 2-dibenzofuran-2-yl-4-(14-methyl-14-propan-2-yl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazine

2-dibenzofuran-2-yl-4-(14-methyl-14-propan-2-yl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazine (PubChem CID 134237841) has the molecular formula C44H31N3O2 and a molecular weight of 633.75 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-(14-methyl-14-propan-2-yl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-(14-methyl-14-propan-2-yl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazine
PubChem CID134237841
Molecular FormulaC44H31N3O2
Molecular Weight633.75 g/mol
Exact Mass633.24
IUPAC Name2-dibenzofuran-2-yl-4-(14-methyl-14-propan-2-yl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazine
SMILESCC(C)C1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccccc6c5c4)n3)ccc2-c2c1ccc1oc3ccccc3c21
InChIInChI=1S/C44H31N3O2/c1-25(2)44(3)33-20-22-38-40(31-14-8-10-16-36(31)49-38)39(33)30-19-17-28(24-34(30)44)43-46-41(26-11-5-4-6-12-26)45-42(47-43)27-18-21-37-32(23-27)29-13-7-9-15-35(29)48-37/h4-25H,1-3H3
InChIKeyHHARGGYZLXXSOJ-UHFFFAOYSA-N
XLogP11.61
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.75
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-2-yl-4-(14-methyl-14-propan-2-yl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 158811091
2,4-diphenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 134573663
2-dibenzofuran-2-yl-4-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 163722248
2-dibenzofuran-1-yl-4-phenyl-6-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)-1,3,5-triazine;2,4-diphenyl-6-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine
CID 163457112
2-dibenzofuran-1-yl-4-phenyl-6-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(14,14,15,15-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16,18,20-nonaen-6-yl)-1,3,5-triazine;2,4-diphenyl-6-(14,14,15,15-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16,18,20-nonaen-6-yl)-1,3,5-triazine
CID 163779363
2-dibenzofuran-2-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602383
2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-16-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 130233207
2,4-diphenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-thioxanthene]-2'-yl-1,3,5-triazine
CID 147749545
2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174245071
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
2,4-diphenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573670
2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 142491356

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-(14-methyl-14-propan-2-yl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-(14-methyl-14-propan-2-yl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazine (CID 134237841) is 2-dibenzofuran-2-yl-4-(14-methyl-14-propan-2-yl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-(14-methyl-14-propan-2-yl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-(14-methyl-14-propan-2-yl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazine is CC(C)C1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccccc6c5c4)n3)ccc2-c2c1ccc1oc3ccccc3c21.
What is the InChIKey of 2-dibenzofuran-2-yl-4-(14-methyl-14-propan-2-yl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is HHARGGYZLXXSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N3O2/c1-25(2)44(3)33-20-22-38-40(31-14-8-10-16-36(31)49-38)39(33)30-19-17-28(24-34(30)44)43-46-41(26-11-5-4-6-12-26)45-42(47-43)27-18-21-37-32(23-27)29-13-7-9-15-35(29)48-37/h4-25H,1-3H3.
What are the key properties of 2-dibenzofuran-2-yl-4-(14-methyl-14-propan-2-yl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazine?
2-dibenzofuran-2-yl-4-(14-methyl-14-propan-2-yl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 633.75 g/mol, XLogP of 11.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-(14-methyl-14-propan-2-yl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 134237841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).