2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine

C43H25N3O — CID 167087578

IUPAC2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(ccc5c4ccc4c6ccccc6ccc45)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C43H25N3O/c1-2-9-27(10-3-1)41-44-42(46-43(45-41)30-17-23-40-38(25-30)37-12-6-7-13-39(37)47-40)29-16-18-32-28(24-29)15-20-36-34(32)22-21-33-31-11-5-4-8-26(31)14-19-35(33)36/h1-25H
InChIKeySKNJEXPNFURMLI-UHFFFAOYSA-N
MW599.69 g/mol
LogP11.38
Rot. Bonds3

About 2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine

2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine (PubChem CID 167087578) has the molecular formula C43H25N3O and a molecular weight of 599.69 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine
PubChem CID167087578
Molecular FormulaC43H25N3O
Molecular Weight599.69 g/mol
Exact Mass599.20
IUPAC Name2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(ccc5c4ccc4c6ccccc6ccc45)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C43H25N3O/c1-2-9-27(10-3-1)41-44-42(46-43(45-41)30-17-23-40-38(25-30)37-12-6-7-13-39(37)47-40)29-16-18-32-28(24-29)15-20-36-34(32)22-21-33-31-11-5-4-8-26(31)14-19-35(33)36/h1-25H
InChIKeySKNJEXPNFURMLI-UHFFFAOYSA-N
XLogP11.38
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.69
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-chrysen-2-yl-4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176851515
2-chrysen-2-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 168739839
2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 176617028
2-(8-naphthalen-2-yldibenzofuran-2-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 176616795
2,4-di(chrysen-3-yl)-6-dibenzofuran-2-yl-1,3,5-triazine
CID 158404878
2-(9-dibenzofuran-2-yldibenzofuran-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 166743657
2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616809
2-dibenzofuran-2-yl-4-(3-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 176617094
2-(8-chrysen-2-yldibenzofuran-1-yl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 140946810
2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
CID 166925795
2-[10-(3-dibenzofuran-2-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925660
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine (CID 167087578) is 2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(ccc5c4ccc4c6ccccc6ccc45)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine?
The InChIKey is SKNJEXPNFURMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3O/c1-2-9-27(10-3-1)41-44-42(46-43(45-41)30-17-23-40-38(25-30)37-12-6-7-13-39(37)47-40)29-16-18-32-28(24-29)15-20-36-34(32)22-21-33-31-11-5-4-8-26(31)14-19-35(33)36/h1-25H.
What are the key properties of 2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine?
2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine has a molecular weight of 599.69 g/mol, XLogP of 11.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine is sourced from PubChem (CID 167087578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).