2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-1,3,5-triazine

C51H29N3O2 — CID 177130940

IUPAC2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3ccc4c(c3)oc3cc5ccccc5c(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7oc8ccccc8c67)n5)c34)ccc2c1
InChIInChI=1S/C51H29N3O2/c1-3-12-32-26-34(22-20-30(32)10-1)35-24-25-40-44(28-35)56-45-29-36-14-5-6-15-38(36)48(47(40)45)51-53-49(37-23-21-31-11-2-4-13-33(31)27-37)52-50(54-51)41-17-9-19-43-46(41)39-16-7-8-18-42(39)55-43/h1-29H
InChIKeyOHOBQYTVYYFFNU-UHFFFAOYSA-N
MW715.81 g/mol
LogP13.80
Rot. Bonds4

About 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-1,3,5-triazine (PubChem CID 177130940) has the molecular formula C51H29N3O2 and a molecular weight of 715.81 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-1,3,5-triazine
PubChem CID177130940
Molecular FormulaC51H29N3O2
Molecular Weight715.81 g/mol
Exact Mass715.23
IUPAC Name2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3ccc4c(c3)oc3cc5ccccc5c(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7oc8ccccc8c67)n5)c34)ccc2c1
InChIInChI=1S/C51H29N3O2/c1-3-12-32-26-34(22-20-30(32)10-1)35-24-25-40-44(28-35)56-45-29-36-14-5-6-15-38(36)48(47(40)45)51-53-49(37-23-21-31-11-2-4-13-33(31)27-37)52-50(54-51)41-17-9-19-43-46(41)39-16-7-8-18-42(39)55-43/h1-29H
InChIKeyOHOBQYTVYYFFNU-UHFFFAOYSA-N
XLogP13.80
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.81
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine
CID 174198624
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine
CID 166742467
2-naphthalen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 176616874
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine
CID 170017927
2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743004
2-dibenzofuran-3-yl-4-(2-dibenzofuran-1-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167183122
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 166742927
2-naphtho[3,2-b][1]benzofuran-8-yl-4-phenanthren-9-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 174198668
2-dibenzofuran-1-yl-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174198496
4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine
CID 168785016
2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 163727437
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166743599

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-1,3,5-triazine (CID 177130940) is 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-1,3,5-triazine is c1ccc2cc(-c3ccc4c(c3)oc3cc5ccccc5c(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7oc8ccccc8c67)n5)c34)ccc2c1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-1,3,5-triazine?
The InChIKey is OHOBQYTVYYFFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O2/c1-3-12-32-26-34(22-20-30(32)10-1)35-24-25-40-44(28-35)56-45-29-36-14-5-6-15-38(36)48(47(40)45)51-53-49(37-23-21-31-11-2-4-13-33(31)27-37)52-50(54-51)41-17-9-19-43-46(41)39-16-7-8-18-42(39)55-43/h1-29H.
What are the key properties of 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-1,3,5-triazine has a molecular weight of 715.81 g/mol, XLogP of 13.80, 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-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-1,3,5-triazine is sourced from PubChem (CID 177130940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).