2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine

C53H33N3O2 — CID 170132486

IUPAC2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine
SMILESC1=CC2=C(c3nc(-c4ccccc4)nc(-c4cccc5c4oc4ccccc45)n3)C=CC(c3cccc4oc5c(-c6cccc7ccccc67)cccc5c34)C2C=C1
InChIInChI=1S/C53H33N3O2/c1-2-15-33(16-3-1)51-54-52(56-53(55-51)45-27-12-25-42-39-21-8-9-28-46(39)57-50(42)45)43-31-30-38(36-19-6-7-20-37(36)43)40-23-13-29-47-48(40)44-26-11-24-41(49(44)58-47)35-22-10-17-32-14-4-5-18-34(32)35/h1-31,36,38H
InChIKeyOYESOGJTXTUFRD-UHFFFAOYSA-N
MW743.87 g/mol
LogP13.67
Rot. Bonds5

About 2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine (PubChem CID 170132486) has the molecular formula C53H33N3O2 and a molecular weight of 743.87 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine
PubChem CID170132486
Molecular FormulaC53H33N3O2
Molecular Weight743.87 g/mol
Exact Mass743.26
IUPAC Name2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine
SMILESC1=CC2=C(c3nc(-c4ccccc4)nc(-c4cccc5c4oc4ccccc45)n3)C=CC(c3cccc4oc5c(-c6cccc7ccccc67)cccc5c34)C2C=C1
InChIInChI=1S/C53H33N3O2/c1-2-15-33(16-3-1)51-54-52(56-53(55-51)45-27-12-25-42-39-21-8-9-28-46(39)57-50(42)45)43-31-30-38(36-19-6-7-20-37(36)43)40-23-13-29-47-48(40)44-26-11-24-41(49(44)58-47)35-22-10-17-32-14-4-5-18-34(32)35/h1-31,36,38H
InChIKeyOYESOGJTXTUFRD-UHFFFAOYSA-N
XLogP13.67
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.87
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-[4-(6-phenyldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-1,3,5-triazine
CID 170132539
2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 166743398
2-dibenzofuran-4-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168731919
2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741050
2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 155481309
2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953235
2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 155481357
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742287
2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742174
2-dibenzofuran-4-yl-4-naphthalen-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112899
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155763951
2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741910

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine (CID 170132486) is 2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine is C1=CC2=C(c3nc(-c4ccccc4)nc(-c4cccc5c4oc4ccccc45)n3)C=CC(c3cccc4oc5c(-c6cccc7ccccc67)cccc5c34)C2C=C1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is OYESOGJTXTUFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O2/c1-2-15-33(16-3-1)51-54-52(56-53(55-51)45-27-12-25-42-39-21-8-9-28-46(39)57-50(42)45)43-31-30-38(36-19-6-7-20-37(36)43)40-23-13-29-47-48(40)44-26-11-24-41(49(44)58-47)35-22-10-17-32-14-4-5-18-34(32)35/h1-31,36,38H.
What are the key properties of 2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 743.87 g/mol, XLogP of 13.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170132486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).