2,4-diphenyl-6-[7-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)naphthalen-2-yl]-1,3,5-triazine

C47H29N3O — CID 162712671

IUPAC2,4-diphenyl-6-[7-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)naphthalen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc(-c5c6ccccc6c(-c6ccccc6)c6oc7ccccc7c56)cc4c3)n2)cc1
InChIInChI=1S/C47H29N3O/c1-4-14-31(15-5-1)42-38-21-11-10-20-37(38)41(43-39-22-12-13-23-40(39)51-44(42)43)34-26-24-30-25-27-35(29-36(30)28-34)47-49-45(32-16-6-2-7-17-32)48-46(50-47)33-18-8-3-9-19-33/h1-29H
InChIKeyHRUQOHFPKYNAKU-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

About 2,4-diphenyl-6-[7-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)naphthalen-2-yl]-1,3,5-triazine

2,4-diphenyl-6-[7-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)naphthalen-2-yl]-1,3,5-triazine (PubChem CID 162712671) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2,4-diphenyl-6-[7-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)naphthalen-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[7-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)naphthalen-2-yl]-1,3,5-triazine
PubChem CID162712671
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2,4-diphenyl-6-[7-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)naphthalen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc(-c5c6ccccc6c(-c6ccccc6)c6oc7ccccc7c56)cc4c3)n2)cc1
InChIInChI=1S/C47H29N3O/c1-4-14-31(15-5-1)42-38-21-11-10-20-37(38)41(43-39-22-12-13-23-40(39)51-44(42)43)34-26-24-30-25-27-35(29-36(30)28-34)47-49-45(32-16-6-2-7-17-32)48-46(50-47)33-18-8-3-9-19-33/h1-29H
InChIKeyHRUQOHFPKYNAKU-UHFFFAOYSA-N
XLogP12.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-diphenyl-6-[7-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)naphthalen-2-yl]-1,3,5-triazine with MolForge

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Related Compounds

2-[3-(2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164723701
2-dibenzofuran-3-yl-4-phenyl-6-[4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[3,2-b][1]benzofuran-11-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[6-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-1,3,5-triazine
CID 163618006
11-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)naphtho[2,3-b][1]benzofuran
CID 176777646
2-dibenzofuran-4-yl-4-[7-(2-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741418
2-naphthalen-2-yl-4-(1-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176616808
2-naphthalen-2-yl-4-(4-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163627854
2-naphthalen-2-yl-4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853968
2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 162712574
2-(11-chloronaphtho[2,3-b][1]benzofuran-6-yl)-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 167348113
2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498
2-naphthalen-2-yl-4-phenyl-6-[1-(6-phenylnaphthalen-2-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 163653922
11-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)naphtho[2,3-b][1]benzofuran
CID 176777762

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[7-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)naphthalen-2-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[7-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)naphthalen-2-yl]-1,3,5-triazine (CID 162712671) is 2,4-diphenyl-6-[7-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)naphthalen-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[7-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)naphthalen-2-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[7-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)naphthalen-2-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc(-c5c6ccccc6c(-c6ccccc6)c6oc7ccccc7c56)cc4c3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[7-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)naphthalen-2-yl]-1,3,5-triazine?
The InChIKey is HRUQOHFPKYNAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-4-14-31(15-5-1)42-38-21-11-10-20-37(38)41(43-39-22-12-13-23-40(39)51-44(42)43)34-26-24-30-25-27-35(29-36(30)28-34)47-49-45(32-16-6-2-7-17-32)48-46(50-47)33-18-8-3-9-19-33/h1-29H.
What are the key properties of 2,4-diphenyl-6-[7-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)naphthalen-2-yl]-1,3,5-triazine?
2,4-diphenyl-6-[7-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)naphthalen-2-yl]-1,3,5-triazine has a molecular weight of 651.77 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[7-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)naphthalen-2-yl]-1,3,5-triazine is sourced from PubChem (CID 162712671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).