2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine

C47H29N3O2 — CID 167029735

IUPAC2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4oc5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5c34)N=C(c3cccc4c3oc3ccccc34)N2)cc1
InChIInChI=1S/C47H29N3O2/c1-2-11-29(12-3-1)45-48-46(50-47(49-45)38-17-8-15-36-35-14-6-7-18-40(35)52-44(36)38)37-16-9-19-42-43(37)39-27-31(23-25-41(39)51-42)30-22-24-34-32(26-30)21-20-28-10-4-5-13-33(28)34/h1-27,46H,(H,48,49,50)
InChIKeyKGPXMGYIQQQRBJ-UHFFFAOYSA-N
MW667.77 g/mol
LogP11.95
Rot. Bonds4

About 2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine

2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 167029735) has the molecular formula C47H29N3O2 and a molecular weight of 667.77 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
PubChem CID167029735
Molecular FormulaC47H29N3O2
Molecular Weight667.77 g/mol
Exact Mass667.23
IUPAC Name2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4oc5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5c34)N=C(c3cccc4c3oc3ccccc34)N2)cc1
InChIInChI=1S/C47H29N3O2/c1-2-11-29(12-3-1)45-48-46(50-47(49-45)38-17-8-15-36-35-14-6-7-18-40(35)52-44(36)38)37-16-9-19-42-43(37)39-27-31(23-25-41(39)51-42)30-22-24-34-32(26-30)21-20-28-10-4-5-13-33(28)34/h1-27,46H,(H,48,49,50)
InChIKeyKGPXMGYIQQQRBJ-UHFFFAOYSA-N
XLogP11.95
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.77
LogP ≤ 511.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-dibenzofuran-4-yl-2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293724
4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167419816
2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030484
4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 167029970
4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170248098
4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029303
4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029289
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030467
2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030009
2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170423789
2-naphthalen-1-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030014
2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170246449

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine (CID 167029735) is 2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cccc4oc5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5c34)N=C(c3cccc4c3oc3ccccc34)N2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is KGPXMGYIQQQRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O2/c1-2-11-29(12-3-1)45-48-46(50-47(49-45)38-17-8-15-36-35-14-6-7-18-40(35)52-44(36)38)37-16-9-19-42-43(37)39-27-31(23-25-41(39)51-42)30-22-24-34-32(26-30)21-20-28-10-4-5-13-33(28)34/h1-27,46H,(H,48,49,50).
What are the key properties of 2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 667.77 g/mol, XLogP of 11.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 167029735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).