2-(4,4a-dihydrodibenzofuran-4-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine

C55H33N3O3 — CID 167007923

IUPAC2-(4,4a-dihydrodibenzofuran-4-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc4oc5ccc(-c6cccc7oc8c9ccccc9ccc8c67)cc5c34)n2)C2Oc3ccccc3C2=C1
InChIInChI=1S/C55H33N3O3/c1-2-11-32(12-3-1)33-23-25-35(26-24-33)53-56-54(58-55(57-53)43-19-8-17-40-39-15-6-7-20-45(39)60-52(40)43)42-18-10-21-47-50(42)44-31-36(28-30-46(44)59-47)37-16-9-22-48-49(37)41-29-27-34-13-4-5-14-38(34)51(41)61-48/h1-31,43,52H
InChIKeyMMPGHXVNTSOZJB-UHFFFAOYSA-N
MW783.89 g/mol
LogP13.99
Rot. Bonds5

About 2-(4,4a-dihydrodibenzofuran-4-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine

2-(4,4a-dihydrodibenzofuran-4-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 167007923) has the molecular formula C55H33N3O3 and a molecular weight of 783.89 g/mol. Its IUPAC name is 2-(4,4a-dihydrodibenzofuran-4-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4,4a-dihydrodibenzofuran-4-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID167007923
Molecular FormulaC55H33N3O3
Molecular Weight783.89 g/mol
Exact Mass783.25
IUPAC Name2-(4,4a-dihydrodibenzofuran-4-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc4oc5ccc(-c6cccc7oc8c9ccccc9ccc8c67)cc5c34)n2)C2Oc3ccccc3C2=C1
InChIInChI=1S/C55H33N3O3/c1-2-11-32(12-3-1)33-23-25-35(26-24-33)53-56-54(58-55(57-53)43-19-8-17-40-39-15-6-7-20-45(39)60-52(40)43)42-18-10-21-47-50(42)44-31-36(28-30-46(44)59-47)37-16-9-22-48-49(37)41-29-27-34-13-4-5-14-38(34)51(41)61-48/h1-31,43,52H
InChIKeyMMPGHXVNTSOZJB-UHFFFAOYSA-N
XLogP13.99
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.89
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4,4a-dihydrodibenzofuran-4-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 170926832
2-(1,2-dihydronaphthalen-2-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167007887
2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155155981
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742506
2-naphthalen-2-yl-4-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 171399233
2-(4a,9b-dihydrodibenzofuran-4-yl)-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 170232252
2-(8-phenanthren-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 142353054
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763
2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952974
2,4-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743569
2-(8-naphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166741458

Frequently Asked Questions

What is the IUPAC name of 2-(4,4a-dihydrodibenzofuran-4-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4,4a-dihydrodibenzofuran-4-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 167007923) is 2-(4,4a-dihydrodibenzofuran-4-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4,4a-dihydrodibenzofuran-4-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4,4a-dihydrodibenzofuran-4-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine is C1=CC(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc4oc5ccc(-c6cccc7oc8c9ccccc9ccc8c67)cc5c34)n2)C2Oc3ccccc3C2=C1.
What is the InChIKey of 2-(4,4a-dihydrodibenzofuran-4-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is MMPGHXVNTSOZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O3/c1-2-11-32(12-3-1)33-23-25-35(26-24-33)53-56-54(58-55(57-53)43-19-8-17-40-39-15-6-7-20-45(39)60-52(40)43)42-18-10-21-47-50(42)44-31-36(28-30-46(44)59-47)37-16-9-22-48-49(37)41-29-27-34-13-4-5-14-38(34)51(41)61-48/h1-31,43,52H.
What are the key properties of 2-(4,4a-dihydrodibenzofuran-4-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-(4,4a-dihydrodibenzofuran-4-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 783.89 g/mol, XLogP of 13.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4a-dihydrodibenzofuran-4-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167007923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).