2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine

C53H31N3O2 — CID 166742927

IUPAC2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)oc2cccc(-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7oc8ccccc8c67)n5)c5ccccc45)c23)cc1
InChIInChI=1S/C53H31N3O2/c1-2-12-32(13-3-1)35-26-27-43-48(31-35)58-46-22-10-19-40(49(43)46)39-28-29-41(38-17-7-6-16-37(38)39)52-54-51(36-25-24-33-14-4-5-15-34(33)30-36)55-53(56-52)44-20-11-23-47-50(44)42-18-8-9-21-45(42)57-47/h1-31H
InChIKeyNZIIWQZYDFUUQD-UHFFFAOYSA-N
MW741.85 g/mol
LogP14.31
Rot. Bonds5

About 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine

2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 166742927) has the molecular formula C53H31N3O2 and a molecular weight of 741.85 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
PubChem CID166742927
Molecular FormulaC53H31N3O2
Molecular Weight741.85 g/mol
Exact Mass741.24
IUPAC Name2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)oc2cccc(-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7oc8ccccc8c67)n5)c5ccccc45)c23)cc1
InChIInChI=1S/C53H31N3O2/c1-2-12-32(13-3-1)35-26-27-43-48(31-35)58-46-22-10-19-40(49(43)46)39-28-29-41(38-17-7-6-16-37(38)39)52-54-51(36-25-24-33-14-4-5-15-34(33)30-36)55-53(56-52)44-20-11-23-47-50(44)42-18-8-9-21-45(42)57-47/h1-31H
InChIKeyNZIIWQZYDFUUQD-UHFFFAOYSA-N
XLogP14.31
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.85
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158453153
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 166742910
2-dibenzofuran-1-yl-4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 169053839
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166743599
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-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;hydride;molecular hydrogen
CID 163951650
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588100
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine
CID 170017177
2-naphthalen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 176616874
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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine (CID 166742927) is 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2ccc3c(c2)oc2cccc(-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7oc8ccccc8c67)n5)c5ccccc45)c23)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine?
The InChIKey is NZIIWQZYDFUUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N3O2/c1-2-12-32(13-3-1)35-26-27-43-48(31-35)58-46-22-10-19-40(49(43)46)39-28-29-41(38-17-7-6-16-37(38)39)52-54-51(36-25-24-33-14-4-5-15-34(33)30-36)55-53(56-52)44-20-11-23-47-50(44)42-18-8-9-21-45(42)57-47/h1-31H.
What are the key properties of 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine?
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 741.85 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 166742927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).