2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine

C58H37N3O2 — CID 167042969

IUPAC2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cc5oc6ccccc6c5cc4C4CCc5cc6ccccc6cc5-c5ccccc54)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C58H37N3O2/c1-2-13-35(14-3-1)36-25-27-37(28-26-36)56-59-57(47-22-12-21-46-44-19-8-11-24-53(44)63-55(46)47)61-58(60-56)51-34-54-50(45-20-9-10-23-52(45)62-54)33-49(51)43-30-29-40-31-38-15-4-5-16-39(38)32-48(40)42-18-7-6-17-41(42)43/h1-28,31-34,43H,29-30H2
InChIKeyAGMFINATZYCXFP-UHFFFAOYSA-N
MW807.95 g/mol
LogP15.24
Rot. Bonds5

About 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine

2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine (PubChem CID 167042969) has the molecular formula C58H37N3O2 and a molecular weight of 807.95 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine
PubChem CID167042969
Molecular FormulaC58H37N3O2
Molecular Weight807.95 g/mol
Exact Mass807.29
IUPAC Name2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cc5oc6ccccc6c5cc4C4CCc5cc6ccccc6cc5-c5ccccc54)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C58H37N3O2/c1-2-13-35(14-3-1)36-25-27-37(28-26-36)56-59-57(47-22-12-21-46-44-19-8-11-24-53(44)63-55(46)47)61-58(60-56)51-34-54-50(45-20-9-10-23-52(45)62-54)33-49(51)43-30-29-40-31-38-15-4-5-16-39(38)32-48(40)42-18-7-6-17-41(42)43/h1-28,31-34,43H,29-30H2
InChIKeyAGMFINATZYCXFP-UHFFFAOYSA-N
XLogP15.24
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.95
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine with MolForge

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Related Compounds

9-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 166699318
2,4-di(phenanthren-9-yl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166699645
2-naphthalen-2-yl-4-phenyl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 167043634
2-dibenzofuran-1-yl-4-phenyl-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 166699923
2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[1-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 166699873
2-phenyl-4-(3-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 167043649
2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[4-(12-pentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166699689
9-phenyl-4-[4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole
CID 166700833
9-[4-dibenzofuran-3-yl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole
CID 166699724
2-dibenzothiophen-3-yl-4-naphthalen-1-yl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 166700130
9-phenyl-4-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole
CID 167043015
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine (CID 167042969) is 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cc5oc6ccccc6c5cc4C4CCc5cc6ccccc6cc5-c5ccccc54)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine?
The InChIKey is AGMFINATZYCXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O2/c1-2-13-35(14-3-1)36-25-27-37(28-26-36)56-59-57(47-22-12-21-46-44-19-8-11-24-53(44)63-55(46)47)61-58(60-56)51-34-54-50(45-20-9-10-23-52(45)62-54)33-49(51)43-30-29-40-31-38-15-4-5-16-39(38)32-48(40)42-18-7-6-17-41(42)43/h1-28,31-34,43H,29-30H2.
What are the key properties of 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine has a molecular weight of 807.95 g/mol, XLogP of 15.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine is sourced from PubChem (CID 167042969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).