2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine

C47H29N3O2 — CID 170123504

IUPAC2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESC1=Cc2oc3ccccc3c2C(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccc(-c5cccc6oc7ccccc7c56)cc4c3)n2)C1
InChIInChI=1S/C47H29N3O2/c1-2-10-30-25-32(23-20-28(30)9-1)45-48-46(50-47(49-45)38-14-8-18-42-44(38)37-12-4-6-16-40(37)52-42)33-24-21-29-19-22-31(26-34(29)27-33)35-13-7-17-41-43(35)36-11-3-5-15-39(36)51-41/h1-13,15-27,38H,14H2
InChIKeyVSKWSBQTMYRHCX-UHFFFAOYSA-N
MW667.77 g/mol
LogP12.37
Rot. Bonds4

About 2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine

2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 170123504) has the molecular formula C47H29N3O2 and a molecular weight of 667.77 g/mol. Its IUPAC name is 2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID170123504
Molecular FormulaC47H29N3O2
Molecular Weight667.77 g/mol
Exact Mass667.23
IUPAC Name2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESC1=Cc2oc3ccccc3c2C(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccc(-c5cccc6oc7ccccc7c56)cc4c3)n2)C1
InChIInChI=1S/C47H29N3O2/c1-2-10-30-25-32(23-20-28(30)9-1)45-48-46(50-47(49-45)38-14-8-18-42-44(38)37-12-4-6-16-40(37)52-42)33-24-21-29-19-22-31(26-34(29)27-33)35-13-7-17-41-43(35)36-11-3-5-15-39(36)51-41/h1-13,15-27,38H,14H2
InChIKeyVSKWSBQTMYRHCX-UHFFFAOYSA-N
XLogP12.37
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.77
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(9-phenyl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 170145405
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
2,4-dinaphthalen-2-yl-6-(9-naphtho[2,3-b][1]benzothiol-4-yl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 167029737
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(1,2-dihydronaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazine
CID 170222893
2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170016833
2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 146918323
2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737139
2-(3-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172545501
2-dibenzofuran-3-yl-4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 176765102
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-ylnaphthalen-1-yl)-1,3,5-triazine
CID 171607648
2-(6-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine
CID 166743635

Frequently Asked Questions

What is the IUPAC name of 2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine (CID 170123504) is 2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine is C1=Cc2oc3ccccc3c2C(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccc(-c5cccc6oc7ccccc7c56)cc4c3)n2)C1.
What is the InChIKey of 2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is VSKWSBQTMYRHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O2/c1-2-10-30-25-32(23-20-28(30)9-1)45-48-46(50-47(49-45)38-14-8-18-42-44(38)37-12-4-6-16-40(37)52-42)33-24-21-29-19-22-31(26-34(29)27-33)35-13-7-17-41-43(35)36-11-3-5-15-39(36)51-41/h1-13,15-27,38H,14H2.
What are the key properties of 2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine?
2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 667.77 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 170123504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).