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

C35H21N3O — CID 169278620

IUPAC2-dibenzofuran-2-yl-4-phenanthren-4-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4ccc5ccccc5c34)n2)cc1
InChIInChI=1S/C35H21N3O/c1-2-10-24(11-3-1)33-36-34(25-19-20-31-29(21-25)27-14-6-7-16-30(27)39-31)38-35(37-33)28-15-8-12-23-18-17-22-9-4-5-13-26(22)32(23)28/h1-21H
InChIKeyQGKNBOODQAOYSV-UHFFFAOYSA-N
MW499.57 g/mol
LogP9.08
Rot. Bonds3

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

2-dibenzofuran-2-yl-4-phenanthren-4-yl-6-phenyl-1,3,5-triazine (PubChem CID 169278620) has the molecular formula C35H21N3O and a molecular weight of 499.57 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-phenanthren-4-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-phenanthren-4-yl-6-phenyl-1,3,5-triazine
PubChem CID169278620
Molecular FormulaC35H21N3O
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC Name2-dibenzofuran-2-yl-4-phenanthren-4-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4ccc5ccccc5c34)n2)cc1
InChIInChI=1S/C35H21N3O/c1-2-10-24(11-3-1)33-36-34(25-19-20-31-29(21-25)27-14-6-7-16-30(27)39-31)38-35(37-33)28-15-8-12-23-18-17-22-9-4-5-13-26(22)32(23)28/h1-21H
InChIKeyQGKNBOODQAOYSV-UHFFFAOYSA-N
XLogP9.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 59.08
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-(9-dibenzofuran-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166743660
2-dibenzofuran-2-yl-4-dibenzofuran-4-yl-6-(4-phenanthren-4-ylphenyl)-1,3,5-triazine
CID 169278757
2-(9-dibenzofuran-2-yldibenzofuran-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 166743657
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112743
2-dibenzofuran-1-yl-4-(5-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731953
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304343
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742506
2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 176617028
2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156522936
2-dibenzofuran-2-yl-4-[2-[2-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 167410686
2-dibenzofuran-2-yl-4-(8-naphthalen-2-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176587677

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-phenanthren-4-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-phenanthren-4-yl-6-phenyl-1,3,5-triazine (CID 169278620) is 2-dibenzofuran-2-yl-4-phenanthren-4-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-phenanthren-4-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-phenanthren-4-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4ccc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-phenanthren-4-yl-6-phenyl-1,3,5-triazine?
The InChIKey is QGKNBOODQAOYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3O/c1-2-10-24(11-3-1)33-36-34(25-19-20-31-29(21-25)27-14-6-7-16-30(27)39-31)38-35(37-33)28-15-8-12-23-18-17-22-9-4-5-13-26(22)32(23)28/h1-21H.
What are the key properties of 2-dibenzofuran-2-yl-4-phenanthren-4-yl-6-phenyl-1,3,5-triazine?
2-dibenzofuran-2-yl-4-phenanthren-4-yl-6-phenyl-1,3,5-triazine has a molecular weight of 499.57 g/mol, XLogP of 9.08, 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-phenanthren-4-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 169278620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).