5-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine

C40H24N4O — CID 168784897

IUPAC5-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6oc7ncccc7c56)n4)ccc3c2)cc1
InChIInChI=1S/C40H24N4O/c1-2-8-25(9-3-1)28-16-17-30-24-32(20-18-29(30)22-28)38-42-37(31-19-15-26-10-4-5-11-27(26)23-31)43-39(44-38)33-12-6-14-35-36(33)34-13-7-21-41-40(34)45-35/h1-24H
InChIKeyOANBRPBPUSARSR-UHFFFAOYSA-N
MW576.66 g/mol
LogP10.14
Rot. Bonds4

About 5-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine

5-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 168784897) has the molecular formula C40H24N4O and a molecular weight of 576.66 g/mol. Its IUPAC name is 5-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name5-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID168784897
Molecular FormulaC40H24N4O
Molecular Weight576.66 g/mol
Exact Mass576.20
IUPAC Name5-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6oc7ncccc7c56)n4)ccc3c2)cc1
InChIInChI=1S/C40H24N4O/c1-2-8-25(9-3-1)28-16-17-30-24-32(20-18-29(30)22-28)38-42-37(31-19-15-26-10-4-5-11-27(26)23-31)43-39(44-38)33-12-6-14-35-36(33)34-13-7-21-41-40(34)45-35/h1-24H
InChIKeyOANBRPBPUSARSR-UHFFFAOYSA-N
XLogP10.14
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.66
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-[1]benzofuro[2,3-b]pyridine
CID 168785698
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-[1]benzofuro[2,3-b]pyridine
CID 168785558
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713
2-dibenzofuran-1-yl-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 162504507
8-naphthalen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 166801432
2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170016716
5-(4-benzo[g]phenanthren-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168785356
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine
CID 170928036

Frequently Asked Questions

What is the IUPAC name of 5-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 5-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine (CID 168784897) is 5-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 5-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 5-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine is c1ccc(-c2ccc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6oc7ncccc7c56)n4)ccc3c2)cc1.
What is the InChIKey of 5-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is OANBRPBPUSARSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O/c1-2-8-25(9-3-1)28-16-17-30-24-32(20-18-29(30)22-28)38-42-37(31-19-15-26-10-4-5-11-27(26)23-31)43-39(44-38)33-12-6-14-35-36(33)34-13-7-21-41-40(34)45-35/h1-24H.
What are the key properties of 5-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine?
5-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 576.66 g/mol, XLogP of 10.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 168784897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).