2,4-dinaphthalen-2-yl-6-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,3,5-triazine

C51H29N3O2 — CID 170362703

IUPAC2,4-dinaphthalen-2-yl-6-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6cccc(-c7ccc8c(c7)oc7c9ccccc9ccc87)c6c45)n3)ccc2c1
InChIInChI=1S/C51H29N3O2/c1-3-12-33-27-36(21-19-30(33)9-1)49-52-50(37-22-20-31-10-2-4-13-34(31)28-37)54-51(53-49)42-16-8-18-44-47(42)46-38(15-7-17-43(46)55-44)35-24-25-40-41-26-23-32-11-5-6-14-39(32)48(41)56-45(40)29-35/h1-29H
InChIKeyMNYQSVAHBVLIQF-UHFFFAOYSA-N
MW715.81 g/mol
LogP13.80
Rot. Bonds4

About 2,4-dinaphthalen-2-yl-6-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,3,5-triazine

2,4-dinaphthalen-2-yl-6-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 170362703) has the molecular formula C51H29N3O2 and a molecular weight of 715.81 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-2-yl-6-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,3,5-triazine
PubChem CID170362703
Molecular FormulaC51H29N3O2
Molecular Weight715.81 g/mol
Exact Mass715.23
IUPAC Name2,4-dinaphthalen-2-yl-6-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6cccc(-c7ccc8c(c7)oc7c9ccccc9ccc87)c6c45)n3)ccc2c1
InChIInChI=1S/C51H29N3O2/c1-3-12-33-27-36(21-19-30(33)9-1)49-52-50(37-22-20-31-10-2-4-13-34(31)28-37)54-51(53-49)42-16-8-18-44-47(42)46-38(15-7-17-43(46)55-44)35-24-25-40-41-26-23-32-11-5-6-14-39(32)48(41)56-45(40)29-35/h1-29H
InChIKeyMNYQSVAHBVLIQF-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-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 176617031
2-naphthalen-2-yl-4-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 171399233
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-2-yl-6-(7-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166740982
2-dibenzofuran-3-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741074
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742622
2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 166741531
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741524
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-naphthalen-1-yl-4-naphthalen-2-yl-6-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 176818688
2-dibenzofuran-3-yl-4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 176765102

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-2-yl-6-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-2-yl-6-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,3,5-triazine (CID 170362703) is 2,4-dinaphthalen-2-yl-6-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-2-yl-6-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-2-yl-6-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,3,5-triazine is c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6cccc(-c7ccc8c(c7)oc7c9ccccc9ccc87)c6c45)n3)ccc2c1.
What is the InChIKey of 2,4-dinaphthalen-2-yl-6-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is MNYQSVAHBVLIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O2/c1-3-12-33-27-36(21-19-30(33)9-1)49-52-50(37-22-20-31-10-2-4-13-34(31)28-37)54-51(53-49)42-16-8-18-44-47(42)46-38(15-7-17-43(46)55-44)35-24-25-40-41-26-23-32-11-5-6-14-39(32)48(41)56-45(40)29-35/h1-29H.
What are the key properties of 2,4-dinaphthalen-2-yl-6-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,3,5-triazine?
2,4-dinaphthalen-2-yl-6-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-1-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 2,4-dinaphthalen-2-yl-6-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 170362703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).