2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine

C49H29N3O3 — CID 167182162

IUPAC2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESC1=C(c2cccc3oc4ccccc4c23)C=C(c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5ccccc5c34)n2)C2c3ccccc3OC12
InChIInChI=1S/C49H29N3O3/c1-2-12-29-25-30(24-23-28(29)11-1)47-50-48(36-17-10-22-42-45(36)34-14-4-7-19-39(34)54-42)52-49(51-47)37-26-31(27-43-46(37)35-15-5-8-20-40(35)55-43)32-16-9-21-41-44(32)33-13-3-6-18-38(33)53-41/h1-27,43,46H
InChIKeyNQKLLRNYAOOLHK-UHFFFAOYSA-N
MW707.79 g/mol
LogP12.18
Rot. Bonds4

About 2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine

2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 167182162) has the molecular formula C49H29N3O3 and a molecular weight of 707.79 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID167182162
Molecular FormulaC49H29N3O3
Molecular Weight707.79 g/mol
Exact Mass707.22
IUPAC Name2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESC1=C(c2cccc3oc4ccccc4c23)C=C(c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5ccccc5c34)n2)C2c3ccccc3OC12
InChIInChI=1S/C49H29N3O3/c1-2-12-29-25-30(24-23-28(29)11-1)47-50-48(36-17-10-22-42-45(36)34-14-4-7-19-39(34)54-42)52-49(51-47)37-26-31(27-43-46(37)35-15-5-8-20-40(35)55-43)32-16-9-21-41-44(32)33-13-3-6-18-38(33)53-41/h1-27,43,46H
InChIKeyNQKLLRNYAOOLHK-UHFFFAOYSA-N
XLogP12.18
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.79
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine with MolForge

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Related Compounds

2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 166845890
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
2-(4a,9b-dihydrodibenzofuran-4-yl)-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 170232252
2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 146918323
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737139
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 171607648
2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 171054302
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743692

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine (CID 167182162) is 2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine is C1=C(c2cccc3oc4ccccc4c23)C=C(c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5ccccc5c34)n2)C2c3ccccc3OC12.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is NQKLLRNYAOOLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O3/c1-2-12-29-25-30(24-23-28(29)11-1)47-50-48(36-17-10-22-42-45(36)34-14-4-7-19-39(34)54-42)52-49(51-47)37-26-31(27-43-46(37)35-15-5-8-20-40(35)55-43)32-16-9-21-41-44(32)33-13-3-6-18-38(33)53-41/h1-27,43,46H.
What are the key properties of 2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 707.79 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 167182162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).