2-(4-naphthalen-1-ylphenyl)-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine

C51H29N3O2 — CID 176775561

IUPAC2-(4-naphthalen-1-ylphenyl)-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
SMILESc1ccc2c(-c3ccc(-c4nc(-c5cc6ccccc6c6oc7ccccc7c56)nc(-c5cc6ccccc6c6oc7ccccc7c56)n4)cc3)cccc2c1
InChIInChI=1S/C51H29N3O2/c1-4-16-35-30(12-1)15-11-21-36(35)31-24-26-32(27-25-31)49-52-50(41-28-33-13-2-5-17-37(33)47-45(41)39-19-7-9-22-43(39)55-47)54-51(53-49)42-29-34-14-3-6-18-38(34)48-46(42)40-20-8-10-23-44(40)56-48/h1-29H
InChIKeyPIIDGZDOGKTFSA-UHFFFAOYSA-N
MW715.81 g/mol
LogP13.80
Rot. Bonds4

About 2-(4-naphthalen-1-ylphenyl)-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine

2-(4-naphthalen-1-ylphenyl)-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine (PubChem CID 176775561) has the molecular formula C51H29N3O2 and a molecular weight of 715.81 g/mol. Its IUPAC name is 2-(4-naphthalen-1-ylphenyl)-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-naphthalen-1-ylphenyl)-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
PubChem CID176775561
Molecular FormulaC51H29N3O2
Molecular Weight715.81 g/mol
Exact Mass715.23
IUPAC Name2-(4-naphthalen-1-ylphenyl)-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
SMILESc1ccc2c(-c3ccc(-c4nc(-c5cc6ccccc6c6oc7ccccc7c56)nc(-c5cc6ccccc6c6oc7ccccc7c56)n4)cc3)cccc2c1
InChIInChI=1S/C51H29N3O2/c1-4-16-35-30(12-1)15-11-21-36(35)31-24-26-32(27-25-31)49-52-50(41-28-33-13-2-5-17-37(33)47-45(41)39-19-7-9-22-43(39)55-47)54-51(53-49)42-29-34-14-3-6-18-38(34)48-46(42)40-20-8-10-23-44(40)56-48/h1-29H
InChIKeyPIIDGZDOGKTFSA-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-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853832
2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775447
2-(6-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166740989
2-dibenzofuran-4-yl-4-phenyl-6-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853441
2-(4-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166743608
2-dibenzofuran-4-yl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853960
2-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853535
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 155481098
2-dibenzofuran-1-yl-4-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853965
2-naphthalen-2-yl-4-(4-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine
CID 176853576
2-(1-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853775
2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 159529301

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-1-ylphenyl)-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine?
The IUPAC name of 2-(4-naphthalen-1-ylphenyl)-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine (CID 176775561) is 2-(4-naphthalen-1-ylphenyl)-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-naphthalen-1-ylphenyl)-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine?
The canonical SMILES for 2-(4-naphthalen-1-ylphenyl)-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine is c1ccc2c(-c3ccc(-c4nc(-c5cc6ccccc6c6oc7ccccc7c56)nc(-c5cc6ccccc6c6oc7ccccc7c56)n4)cc3)cccc2c1.
What is the InChIKey of 2-(4-naphthalen-1-ylphenyl)-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine?
The InChIKey is PIIDGZDOGKTFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O2/c1-4-16-35-30(12-1)15-11-21-36(35)31-24-26-32(27-25-31)49-52-50(41-28-33-13-2-5-17-37(33)47-45(41)39-19-7-9-22-43(39)55-47)54-51(53-49)42-29-34-14-3-6-18-38(34)48-46(42)40-20-8-10-23-44(40)56-48/h1-29H.
What are the key properties of 2-(4-naphthalen-1-ylphenyl)-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine?
2-(4-naphthalen-1-ylphenyl)-4,6-bis(naphtho[1,2-b][1]benzofuran-6-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-naphthalen-1-ylphenyl)-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine is sourced from PubChem (CID 176775561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).