2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine

C47H29N3O — CID 166867385

IUPAC2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)c4c3oc3ccc5ccccc5c34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-13-34(14-4-1)45-48-46(35-15-5-2-6-16-35)50-47(49-45)40-27-26-39(43-42-38-18-10-9-12-32(38)25-28-41(42)51-44(40)43)33-22-19-31(20-23-33)37-24-21-30-11-7-8-17-36(30)29-37/h1-29H
InChIKeyWOQXTWFCFJCHTH-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

About 2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine

2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 166867385) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID166867385
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)c4c3oc3ccc5ccccc5c34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-13-34(14-4-1)45-48-46(35-15-5-2-6-16-35)50-47(49-45)40-27-26-39(43-42-38-18-10-9-12-32(38)25-28-41(42)51-44(40)43)33-22-19-31(20-23-33)37-24-21-30-11-7-8-17-36(30)29-37/h1-29H
InChIKeyWOQXTWFCFJCHTH-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

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Related Compounds

2-[8-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4,6-diphenyl-1,3,5-triazine
CID 171757245
2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741767
2-(25-oxahexacyclo[12.11.0.02,11.03,8.015,24.016,21]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 166845546
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(1-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 167614142
2-naphthalen-2-yl-4-phenyl-6-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 174245007
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214025
2-(4-naphthalen-2-ylphenyl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808228
2,4-dinaphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163773356
2-naphthalen-2-yl-4-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808335
2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[11-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 164979443
2-naphthalen-2-yl-4-phenyl-6-(7-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-12-yl)-1,3,5-triazine
CID 166569960
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853545

Frequently Asked Questions

What is the IUPAC name of 2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine (CID 166867385) is 2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)c4c3oc3ccc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is WOQXTWFCFJCHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-13-34(14-4-1)45-48-46(35-15-5-2-6-16-35)50-47(49-45)40-27-26-39(43-42-38-18-10-9-12-32(38)25-28-41(42)51-44(40)43)33-22-19-31(20-23-33)37-24-21-30-11-7-8-17-36(30)29-37/h1-29H.
What are the key properties of 2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine?
2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-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-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 166867385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).