2-phenyl-4-(3-phenylphenyl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine

C54H37N3O — CID 123604887

IUPAC2-phenyl-4-(3-phenylphenyl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccc8c(c7)-c7ccccc7CCC8c7ccccc7)cc6c45)n3)c2)cc1
InChIInChI=1S/C54H37N3O/c1-4-14-35(15-5-1)39-21-12-22-42(32-39)53-55-52(38-19-8-3-9-20-38)56-54(57-53)46-24-13-25-50-51(46)48-34-41(28-31-49(48)58-50)40-27-30-45-44(36-16-6-2-7-17-36)29-26-37-18-10-11-23-43(37)47(45)33-40/h1-25,27-28,30-34,44H,26,29H2
InChIKeyVBONOFVDGLZQIJ-UHFFFAOYSA-N
MW743.91 g/mol
LogP13.85
Rot. Bonds6

About 2-phenyl-4-(3-phenylphenyl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine

2-phenyl-4-(3-phenylphenyl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 123604887) has the molecular formula C54H37N3O and a molecular weight of 743.91 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenylphenyl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(3-phenylphenyl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID123604887
Molecular FormulaC54H37N3O
Molecular Weight743.91 g/mol
Exact Mass743.29
IUPAC Name2-phenyl-4-(3-phenylphenyl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccc8c(c7)-c7ccccc7CCC8c7ccccc7)cc6c45)n3)c2)cc1
InChIInChI=1S/C54H37N3O/c1-4-14-35(15-5-1)39-21-12-22-42(32-39)53-55-52(38-19-8-3-9-20-38)56-54(57-53)46-24-13-25-50-51(46)48-34-41(28-31-49(48)58-50)40-27-30-45-44(36-16-6-2-7-17-36)29-26-37-18-10-11-23-43(37)47(45)33-40/h1-25,27-28,30-34,44H,26,29H2
InChIKeyVBONOFVDGLZQIJ-UHFFFAOYSA-N
XLogP13.85
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.91
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-4-(3-phenylphenyl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine with MolForge

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Related Compounds

14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 144955824
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454
2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163972262
2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459
2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946169
2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 161271713
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2-[8-[4-(4-cyclopropylphenyl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170209349
2,4-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946220
2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134198515
2-[8-[4-(2,4-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 160543565

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine (CID 123604887) is 2-phenyl-4-(3-phenylphenyl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(3-phenylphenyl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(3-phenylphenyl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccc8c(c7)-c7ccccc7CCC8c7ccccc7)cc6c45)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-(3-phenylphenyl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is VBONOFVDGLZQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3O/c1-4-14-35(15-5-1)39-21-12-22-42(32-39)53-55-52(38-19-8-3-9-20-38)56-54(57-53)46-24-13-25-50-51(46)48-34-41(28-31-49(48)58-50)40-27-30-45-44(36-16-6-2-7-17-36)29-26-37-18-10-11-23-43(37)47(45)33-40/h1-25,27-28,30-34,44H,26,29H2.
What are the key properties of 2-phenyl-4-(3-phenylphenyl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine?
2-phenyl-4-(3-phenylphenyl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 743.91 g/mol, XLogP of 13.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(3-phenylphenyl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 123604887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).