2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine

C47H27N3O2 — CID 176853511

IUPAC2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)c(-c2nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6ccccc6c45)n2)cc2c4ccccc4oc32)cc1
InChIInChI=1S/C47H27N3O2/c1-2-11-28(12-3-1)31-23-24-34-37(26-31)39(27-38-33-15-6-8-18-40(33)52-44(34)38)47-49-45(32-22-21-29-13-4-5-14-30(29)25-32)48-46(50-47)36-17-10-20-42-43(36)35-16-7-9-19-41(35)51-42/h1-27H
InChIKeyQBCVJQIKHCJZQH-UHFFFAOYSA-N
MW665.75 g/mol
LogP12.64
Rot. Bonds4

About 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine (PubChem CID 176853511) has the molecular formula C47H27N3O2 and a molecular weight of 665.75 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
PubChem CID176853511
Molecular FormulaC47H27N3O2
Molecular Weight665.75 g/mol
Exact Mass665.21
IUPAC Name2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)c(-c2nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6ccccc6c45)n2)cc2c4ccccc4oc32)cc1
InChIInChI=1S/C47H27N3O2/c1-2-11-28(12-3-1)31-23-24-34-37(26-31)39(27-38-33-15-6-8-18-40(33)52-44(34)38)47-49-45(32-22-21-29-13-4-5-14-30(29)25-32)48-46(50-47)36-17-10-20-42-43(36)35-16-7-9-19-41(35)51-42/h1-27H
InChIKeyQBCVJQIKHCJZQH-UHFFFAOYSA-N
XLogP12.64
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.75
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176853796
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 176844444
2-dibenzofuran-1-yl-4-naphthalen-1-yl-6-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176818146
2-naphthalen-2-yl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176817611
2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167143642
2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176853852
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
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-naphthalen-2-yl-4-(2-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazine
CID 176853463
2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176818440
2-naphthalen-2-yl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818745

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine (CID 176853511) is 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine is c1ccc(-c2ccc3c(c2)c(-c2nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6ccccc6c45)n2)cc2c4ccccc4oc32)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine?
The InChIKey is QBCVJQIKHCJZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3O2/c1-2-11-28(12-3-1)31-23-24-34-37(26-31)39(27-38-33-15-6-8-18-40(33)52-44(34)38)47-49-45(32-22-21-29-13-4-5-14-30(29)25-32)48-46(50-47)36-17-10-20-42-43(36)35-16-7-9-19-41(35)51-42/h1-27H.
What are the key properties of 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine has a molecular weight of 665.75 g/mol, XLogP of 12.64, 4 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-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine is sourced from PubChem (CID 176853511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).