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

C45H27N5O — CID 168746329

IUPAC2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]isoquinolin-3-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5cnc(-c6ccc7c(n6)oc6ccccc67)cc5c4)c4ccccc34)n2)cc1
InChIInChI=1S/C45H27N5O/c1-3-11-28(12-4-1)42-48-43(29-13-5-2-6-14-29)50-44(49-42)37-22-21-33(34-15-7-8-16-35(34)37)30-19-20-31-27-46-40(26-32(31)25-30)39-24-23-38-36-17-9-10-18-41(36)51-45(38)47-39/h1-27H
InChIKeyVFOXVMQXDVAHQX-UHFFFAOYSA-N
MW653.75 g/mol
LogP11.20
Rot. Bonds5

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

2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]isoquinolin-3-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 168746329) has the molecular formula C45H27N5O and a molecular weight of 653.75 g/mol. Its IUPAC name is 2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]isoquinolin-3-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]isoquinolin-3-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID168746329
Molecular FormulaC45H27N5O
Molecular Weight653.75 g/mol
Exact Mass653.22
IUPAC Name2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]isoquinolin-3-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5cnc(-c6ccc7c(n6)oc6ccccc67)cc5c4)c4ccccc34)n2)cc1
InChIInChI=1S/C45H27N5O/c1-3-11-28(12-4-1)42-48-43(29-13-5-2-6-14-29)50-44(49-42)37-22-21-33(34-15-7-8-16-35(34)37)30-19-20-31-27-46-40(26-32(31)25-30)39-24-23-38-36-17-9-10-18-41(36)51-45(38)47-39/h1-27H
InChIKeyVFOXVMQXDVAHQX-UHFFFAOYSA-N
XLogP11.20
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.75
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]isoquinolin-3-yl]-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]isoquinolin-3-yl]-[1]benzofuro[2,3-b]pyridine
CID 168745760
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 168746878
2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 168746922
2-(4-naphtho[1,2-b][1]benzofuran-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 155474132
2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinolin-8-yl]-[1]benzofuro[2,3-b]pyridine
CID 168746437
2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 165072136
2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743379
7-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylisoquinoline
CID 174302135
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 168746849
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 165057936
2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172545450
2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163440403

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]isoquinolin-3-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]isoquinolin-3-yl]-[1]benzofuro[2,3-b]pyridine (CID 168746329) is 2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]isoquinolin-3-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]isoquinolin-3-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]isoquinolin-3-yl]-[1]benzofuro[2,3-b]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5cnc(-c6ccc7c(n6)oc6ccccc67)cc5c4)c4ccccc34)n2)cc1.
What is the InChIKey of 2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]isoquinolin-3-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is VFOXVMQXDVAHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5O/c1-3-11-28(12-4-1)42-48-43(29-13-5-2-6-14-29)50-44(49-42)37-22-21-33(34-15-7-8-16-35(34)37)30-19-20-31-27-46-40(26-32(31)25-30)39-24-23-38-36-17-9-10-18-41(36)51-45(38)47-39/h1-27H.
What are the key properties of 2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]isoquinolin-3-yl]-[1]benzofuro[2,3-b]pyridine?
2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]isoquinolin-3-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 653.75 g/mol, XLogP of 11.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]isoquinolin-3-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 168746329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).