2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine

C45H27N3O — CID 166741639

IUPAC2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4cccc5oc6ccccc6c45)c4ccccc4c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1
InChIInChI=1S/C45H27N3O/c1-2-13-28(14-3-1)43-46-44(48-45(47-43)39-26-30-16-5-6-17-32(30)34-19-8-9-20-35(34)39)31-25-29-15-4-7-18-33(29)38(27-31)36-22-12-24-41-42(36)37-21-10-11-23-40(37)49-41/h1-27H
InChIKeyQEWQYBAQCOBBLO-UHFFFAOYSA-N
MW625.73 g/mol
LogP11.90
Rot. Bonds4

About 2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine

2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine (PubChem CID 166741639) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
PubChem CID166741639
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4cccc5oc6ccccc6c45)c4ccccc4c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1
InChIInChI=1S/C45H27N3O/c1-2-13-28(14-3-1)43-46-44(48-45(47-43)39-26-30-16-5-6-17-32(30)34-19-8-9-20-35(34)39)31-25-29-15-4-7-18-33(29)38(27-31)36-22-12-24-41-42(36)37-21-10-11-23-40(37)49-41/h1-27H
InChIKeyQEWQYBAQCOBBLO-UHFFFAOYSA-N
XLogP11.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 511.90
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-[4-(6-chlorodibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 171457225
2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147818136
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine
CID 139304153
9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
CID 168785048
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenanthren-9-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166739192
2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730911
4-[4-(4-dibenzofuran-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 166801951
2-dibenzofuran-1-yl-4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazine
CID 171607680
2-[4-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 163945090
2-(6-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine
CID 166743635
2-[4-(3-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166741713
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine
CID 165025944

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine (CID 166741639) is 2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cc(-c4cccc5oc6ccccc6c45)c4ccccc4c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1.
What is the InChIKey of 2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?
The InChIKey is QEWQYBAQCOBBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-2-13-28(14-3-1)43-46-44(48-45(47-43)39-26-30-16-5-6-17-32(30)34-19-8-9-20-35(34)39)31-25-29-15-4-7-18-33(29)38(27-31)36-22-12-24-41-42(36)37-21-10-11-23-40(37)49-41/h1-27H.
What are the key properties of 2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?
2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine has a molecular weight of 625.73 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 166741639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).