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

C47H29N3O2 — CID 167008301

IUPAC6-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3cc4ccccc4c4ccccc34)N=C(c3c(-c4ccc5c(c4)oc4ccccc45)ccc4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C47H29N3O2/c1-2-12-28(13-3-1)45-48-46(38-26-29-14-4-5-15-31(29)33-16-6-7-17-34(33)38)50-47(49-45)44-32(24-25-41-43(44)37-19-9-11-21-40(37)51-41)30-22-23-36-35-18-8-10-20-39(35)52-42(36)27-30/h1-27,45H,(H,48,49,50)
InChIKeyTWJCONFGQVPTMP-UHFFFAOYSA-N
MW667.77 g/mol
LogP11.95
Rot. Bonds4

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

6-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 167008301) has the molecular formula C47H29N3O2 and a molecular weight of 667.77 g/mol. Its IUPAC name is 6-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name6-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
PubChem CID167008301
Molecular FormulaC47H29N3O2
Molecular Weight667.77 g/mol
Exact Mass667.23
IUPAC Name6-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3cc4ccccc4c4ccccc34)N=C(c3c(-c4ccc5c(c4)oc4ccccc45)ccc4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C47H29N3O2/c1-2-12-28(13-3-1)45-48-46(38-26-29-14-4-5-15-31(29)33-16-6-7-17-34(33)38)50-47(49-45)44-32(24-25-41-43(44)37-19-9-11-21-40(37)51-41)30-22-23-36-35-18-8-10-20-39(35)52-42(36)27-30/h1-27,45H,(H,48,49,50)
InChIKeyTWJCONFGQVPTMP-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-naphthalen-2-yl-6-(2-phenanthren-9-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167030408
6-(9-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029846
4-phenanthren-9-yl-2-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 167030279
4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 137223943
4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine
CID 166801524
4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 166961083
2,6-diphenyl-4-(9-triphenylen-2-yldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazine
CID 166961434
4-dibenzofuran-2-yl-2-phenyl-6-[8-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,2-dihydro-1,3,5-triazine
CID 155002341
2-naphthalen-2-yl-4-phenanthren-9-yl-6-(8-phenyldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 167029547
2-dibenzofuran-3-yl-4-(2-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250208
6-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 163769407
5-(6-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-(3-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
CID 159444306

Frequently Asked Questions

What is the IUPAC name of 6-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 6-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine (CID 167008301) is 6-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 6-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 6-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2N=C(c3cc4ccccc4c4ccccc34)N=C(c3c(-c4ccc5c(c4)oc4ccccc45)ccc4oc5ccccc5c34)N2)cc1.
What is the InChIKey of 6-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is TWJCONFGQVPTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O2/c1-2-12-28(13-3-1)45-48-46(38-26-29-14-4-5-15-31(29)33-16-6-7-17-34(33)38)50-47(49-45)44-32(24-25-41-43(44)37-19-9-11-21-40(37)51-41)30-22-23-36-35-18-8-10-20-39(35)52-42(36)27-30/h1-27,45H,(H,48,49,50).
What are the key properties of 6-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine?
6-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-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 6-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 167008301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).