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

C40H24N6O — CID 168745917

IUPAC3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5cc6c(cn5)oc5ccccc56)c5ccccc5n4)cc3)n2)cc1
InChIInChI=1S/C40H24N6O/c1-3-11-25(12-4-1)38-44-39(26-13-5-2-6-14-26)46-40(45-38)28-21-19-27(20-22-28)37-42-32-17-9-7-16-30(32)36(43-37)33-23-31-29-15-8-10-18-34(29)47-35(31)24-41-33/h1-24H
InChIKeyRTUUEMQEZREDOZ-UHFFFAOYSA-N
MW604.67 g/mol
LogP9.44
Rot. Bonds5

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

3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 168745917) has the molecular formula C40H24N6O and a molecular weight of 604.67 g/mol. Its IUPAC name is 3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine
PubChem CID168745917
Molecular FormulaC40H24N6O
Molecular Weight604.67 g/mol
Exact Mass604.20
IUPAC Name3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5cc6c(cn5)oc5ccccc56)c5ccccc5n4)cc3)n2)cc1
InChIInChI=1S/C40H24N6O/c1-3-11-25(12-4-1)38-44-39(26-13-5-2-6-14-26)46-40(45-38)28-21-19-27(20-22-28)37-42-32-17-9-7-16-30(32)36(43-37)33-23-31-29-15-8-10-18-34(29)47-35(31)24-41-33/h1-24H
InChIKeyRTUUEMQEZREDOZ-UHFFFAOYSA-N
XLogP9.44
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.67
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168746066
13-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 147101009
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline
CID 168746371
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
6-(5-dibenzofuran-2-yl-2-pyridinyl)phenanthridine
CID 176818950
3-cinnolin-3-yl-[1]benzofuro[2,3-c]pyridine
CID 168746605
4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline
CID 155326645

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine (CID 168745917) is 3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5cc6c(cn5)oc5ccccc56)c5ccccc5n4)cc3)n2)cc1.
What is the InChIKey of 3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is RTUUEMQEZREDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6O/c1-3-11-25(12-4-1)38-44-39(26-13-5-2-6-14-26)46-40(45-38)28-21-19-27(20-22-28)37-42-32-17-9-7-16-30(32)36(43-37)33-23-31-29-15-8-10-18-34(29)47-35(31)24-41-33/h1-24H.
What are the key properties of 3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine?
3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 604.67 g/mol, XLogP of 9.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 168745917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).