2-dibenzofuran-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine

C36H23N3O — CID 170722266

IUPAC2-dibenzofuran-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(C34CC(c5ccccc53)c3ccccc34)n2)cc1
InChIInChI=1S/C36H23N3O/c1-2-11-22(12-3-1)33-37-34(26-16-10-20-31-32(26)25-15-6-9-19-30(25)40-31)39-35(38-33)36-21-27(23-13-4-7-17-28(23)36)24-14-5-8-18-29(24)36/h1-20,27H,21H2
InChIKeySPXMQDBCIKCUOJ-UHFFFAOYSA-N
MW513.60 g/mol
LogP8.29
Rot. Bonds3

About 2-dibenzofuran-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine (PubChem CID 170722266) has the molecular formula C36H23N3O and a molecular weight of 513.60 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine
PubChem CID170722266
Molecular FormulaC36H23N3O
Molecular Weight513.60 g/mol
Exact Mass513.18
IUPAC Name2-dibenzofuran-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(C34CC(c5ccccc53)c3ccccc34)n2)cc1
InChIInChI=1S/C36H23N3O/c1-2-11-22(12-3-1)33-37-34(26-16-10-20-31-32(26)25-15-6-9-19-30(25)40-31)39-35(38-33)36-21-27(23-13-4-7-17-28(23)36)24-14-5-8-18-29(24)36/h1-20,27H,21H2
InChIKeySPXMQDBCIKCUOJ-UHFFFAOYSA-N
XLogP8.29
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzofuran-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine
CID 170722326
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
2-dibenzofuran-1-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 146649061
2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177112962
2-dibenzofuran-1-yl-4-phenyl-6-(20,20,21,21-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)-1,3,5-triazine
CID 163495186
2-dibenzofuran-1-yl-4-phenyl-6-[5-(9-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731902
2-(4-chloro-2,3-dihydronaphthalen-1-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 167008501
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002722
2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146581682

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine (CID 170722266) is 2-dibenzofuran-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(C34CC(c5ccccc53)c3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine?
The InChIKey is SPXMQDBCIKCUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3O/c1-2-11-22(12-3-1)33-37-34(26-16-10-20-31-32(26)25-15-6-9-19-30(25)40-31)39-35(38-33)36-21-27(23-13-4-7-17-28(23)36)24-14-5-8-18-29(24)36/h1-20,27H,21H2.
What are the key properties of 2-dibenzofuran-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine has a molecular weight of 513.60 g/mol, XLogP of 8.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine is sourced from PubChem (CID 170722266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).