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

C53H33N3O2 — CID 170132539

IUPAC2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-[4-(6-phenyldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-1,3,5-triazine
SMILESC1=CC2=C(c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4oc4ccccc45)n3)C=CC(c3cccc4oc5c(-c6ccccc6)cccc5c34)C2C=C1
InChIInChI=1S/C53H33N3O2/c1-2-14-33(15-3-1)36-20-10-23-44-48-41(21-12-26-47(48)58-49(36)44)39-29-30-43(38-18-7-6-17-37(38)39)52-54-51(35-28-27-32-13-4-5-16-34(32)31-35)55-53(56-52)45-24-11-22-42-40-19-8-9-25-46(40)57-50(42)45/h1-31,37,39H
InChIKeyHXFFUQGSGBMJKR-UHFFFAOYSA-N
MW743.87 g/mol
LogP13.67
Rot. Bonds5

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

2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-[4-(6-phenyldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-1,3,5-triazine (PubChem CID 170132539) has the molecular formula C53H33N3O2 and a molecular weight of 743.87 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-[4-(6-phenyldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-[4-(6-phenyldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-1,3,5-triazine
PubChem CID170132539
Molecular FormulaC53H33N3O2
Molecular Weight743.87 g/mol
Exact Mass743.26
IUPAC Name2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-[4-(6-phenyldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-1,3,5-triazine
SMILESC1=CC2=C(c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4oc4ccccc45)n3)C=CC(c3cccc4oc5c(-c6ccccc6)cccc5c34)C2C=C1
InChIInChI=1S/C53H33N3O2/c1-2-14-33(15-3-1)36-20-10-23-44-48-41(21-12-26-47(48)58-49(36)44)39-29-30-43(38-18-7-6-17-37(38)39)52-54-51(35-28-27-32-13-4-5-16-34(32)31-35)55-53(56-52)45-24-11-22-42-40-19-8-9-25-46(40)57-50(42)45/h1-31,37,39H
InChIKeyHXFFUQGSGBMJKR-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-[4-(6-naphthalen-1-yldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 170132486
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2,4-dinaphthalen-2-yl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742620
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149219825
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-naphthalen-2-yl-4-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808335
2-dibenzofuran-3-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741074
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742622
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-(4-dibenzofuran-4-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164821795
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214025
2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[4-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214033

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-[4-(6-phenyldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-1,3,5-triazine?
The IUPAC name of 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) is 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-[4-(6-phenyldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-[4-(6-phenyldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-[4-(6-phenyldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-1,3,5-triazine is C1=CC2=C(c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4oc4ccccc45)n3)C=CC(c3cccc4oc5c(-c6ccccc6)cccc5c34)C2C=C1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-[4-(6-phenyldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-1,3,5-triazine?
The InChIKey is HXFFUQGSGBMJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O2/c1-2-14-33(15-3-1)36-20-10-23-44-48-41(21-12-26-47(48)58-49(36)44)39-29-30-43(38-18-7-6-17-37(38)39)52-54-51(35-28-27-32-13-4-5-16-34(32)31-35)55-53(56-52)45-24-11-22-42-40-19-8-9-25-46(40)57-50(42)45/h1-31,37,39H.
What are the key properties of 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-[4-(6-phenyldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-1,3,5-triazine?
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-[4-(6-phenyldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-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-naphthalen-2-yl-6-[4-(6-phenyldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 170132539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).