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

C41H25N5O — CID 168746922

IUPAC2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5nc(-c6ccc7c(n6)oc6ccccc67)ccc45)c3)n2)cc1
InChIInChI=1S/C41H25N5O/c1-3-11-26(12-4-1)38-44-39(27-13-5-2-6-14-27)46-40(45-38)29-16-9-15-28(25-29)30-18-10-19-34-31(30)21-23-35(42-34)36-24-22-33-32-17-7-8-20-37(32)47-41(33)43-36/h1-25H
InChIKeyNUBSGQUGMLSEML-UHFFFAOYSA-N
MW603.69 g/mol
LogP10.05
Rot. Bonds5

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

2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 168746922) has the molecular formula C41H25N5O and a molecular weight of 603.69 g/mol. Its IUPAC name is 2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID168746922
Molecular FormulaC41H25N5O
Molecular Weight603.69 g/mol
Exact Mass603.21
IUPAC Name2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5nc(-c6ccc7c(n6)oc6ccccc67)ccc45)c3)n2)cc1
InChIInChI=1S/C41H25N5O/c1-3-11-26(12-4-1)38-44-39(27-13-5-2-6-14-27)46-40(45-38)29-16-9-15-28(25-29)30-18-10-19-34-31(30)21-23-35(42-34)36-24-22-33-32-17-7-8-20-37(32)47-41(33)43-36/h1-25H
InChIKeyNUBSGQUGMLSEML-UHFFFAOYSA-N
XLogP10.05
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.69
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-b]pyridine
CID 168747023
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-[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
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 168746878
2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline
CID 168746371
2-(2-dibenzofuran-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850267
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830
2-[3-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155429636
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264
2-dibenzofuran-3-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850143

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine (CID 168746922) is 2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5nc(-c6ccc7c(n6)oc6ccccc67)ccc45)c3)n2)cc1.
What is the InChIKey of 2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is NUBSGQUGMLSEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5O/c1-3-11-26(12-4-1)38-44-39(27-13-5-2-6-14-27)46-40(45-38)29-16-9-15-28(25-29)30-18-10-19-34-31(30)21-23-35(42-34)36-24-22-33-32-17-7-8-20-37(32)47-41(33)43-36/h1-25H.
What are the key properties of 2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine?
2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 603.69 g/mol, XLogP of 10.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 168746922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).