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

C63H39N3O2 — CID 170013631

IUPAC2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-(1,2-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3ccc(-c4cccc5oc6cc(-c7cccc8oc9ccccc9c78)ccc6c45)c4ccccc34)n2)Cc2ccccc21
InChIInChI=1S/C63H39N3O2/c1-2-14-42-36-44(31-26-38(42)12-1)62-64-61(41-29-27-40(28-30-41)46-20-9-15-39-13-3-4-16-45(39)46)65-63(66-62)52-35-34-50(48-17-5-6-18-49(48)52)51-22-11-25-57-60(51)54-33-32-43(37-58(54)68-57)47-21-10-24-56-59(47)53-19-7-8-23-55(53)67-56/h1-35,37,44H,36H2
InChIKeyMQWYMEPVYAOYAE-UHFFFAOYSA-N
MW870.02 g/mol
LogP16.66
Rot. Bonds6

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

2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-(1,2-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine (PubChem CID 170013631) has the molecular formula C63H39N3O2 and a molecular weight of 870.02 g/mol. Its IUPAC name is 2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-(1,2-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-(1,2-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
PubChem CID170013631
Molecular FormulaC63H39N3O2
Molecular Weight870.02 g/mol
Exact Mass869.30
IUPAC Name2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-(1,2-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3ccc(-c4cccc5oc6cc(-c7cccc8oc9ccccc9c78)ccc6c45)c4ccccc34)n2)Cc2ccccc21
InChIInChI=1S/C63H39N3O2/c1-2-14-42-36-44(31-26-38(42)12-1)62-64-61(41-29-27-40(28-30-41)46-20-9-15-39-13-3-4-16-45(39)46)65-63(66-62)52-35-34-50(48-17-5-6-18-49(48)52)51-22-11-25-57-60(51)54-33-32-43(37-58(54)68-57)47-21-10-24-56-59(47)53-19-7-8-23-55(53)67-56/h1-35,37,44H,36H2
InChIKeyMQWYMEPVYAOYAE-UHFFFAOYSA-N
XLogP16.66
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.02
LogP ≤ 516.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-(1,2-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-(3-dibenzofuran-1-yldibenzofuran-1-yl)-4-(1,2-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170009033
2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167008024
2-(1,2-dihydronaphthalen-2-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167007887
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743109
2-(1,2-dihydronaphthalen-2-yl)-4-(9-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170009870
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 170213995
2-(1,2-dihydronaphthalen-2-yl)-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170422642
2-[3-(1,2-dihydronaphthalen-2-yl)-4-phenylphenyl]-4-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170237130
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 170123189
2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 167182670
2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine
CID 174316211
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-[4-[4-[9-[4-[4-[4-(1,2-dihydronaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl]naphthalen-1-yl]-8,9-dihydrodibenzofuran-4-yl]naphthalen-1-yl]phenyl]-6-naphtho[2,1-b][1]benzofuran-3-yl-1,3,5-triazine
CID 170018347

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-(1,2-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-(1,2-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine (CID 170013631) is 2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-(1,2-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-(1,2-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-(1,2-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine is C1=CC(c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3ccc(-c4cccc5oc6cc(-c7cccc8oc9ccccc9c78)ccc6c45)c4ccccc34)n2)Cc2ccccc21.
What is the InChIKey of 2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-(1,2-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
The InChIKey is MQWYMEPVYAOYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N3O2/c1-2-14-42-36-44(31-26-38(42)12-1)62-64-61(41-29-27-40(28-30-41)46-20-9-15-39-13-3-4-16-45(39)46)65-63(66-62)52-35-34-50(48-17-5-6-18-49(48)52)51-22-11-25-57-60(51)54-33-32-43(37-58(54)68-57)47-21-10-24-56-59(47)53-19-7-8-23-55(53)67-56/h1-35,37,44H,36H2.
What are the key properties of 2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-(1,2-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-(1,2-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine has a molecular weight of 870.02 g/mol, XLogP of 16.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-(1,2-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170013631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).