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

C40H26N6O — CID 168746539

IUPAC3-[6-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(C2=NC(c3ccc(-c4ccc5ncnc(-c6cc7c(cn6)oc6ccccc67)c5c4)cc3)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C40H26N6O/c1-3-9-26(10-4-1)38-44-39(27-11-5-2-6-12-27)46-40(45-38)28-17-15-25(16-18-28)29-19-20-33-32(21-29)37(43-24-42-33)34-22-31-30-13-7-8-14-35(30)47-36(31)23-41-34/h1-24,40H,(H,44,45,46)
InChIKeyIQQQPYLUUUHDMY-UHFFFAOYSA-N
MW606.69 g/mol
LogP8.75
Rot. Bonds5

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

3-[6-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 168746539) has the molecular formula C40H26N6O and a molecular weight of 606.69 g/mol. Its IUPAC name is 3-[6-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name3-[6-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine
PubChem CID168746539
Molecular FormulaC40H26N6O
Molecular Weight606.69 g/mol
Exact Mass606.22
IUPAC Name3-[6-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(C2=NC(c3ccc(-c4ccc5ncnc(-c6cc7c(cn6)oc6ccccc67)c5c4)cc3)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C40H26N6O/c1-3-9-26(10-4-1)38-44-39(27-11-5-2-6-12-27)46-40(45-38)28-17-15-25(16-18-28)29-19-20-33-32(21-29)37(43-24-42-33)34-22-31-30-13-7-8-14-35(30)47-36(31)23-41-34/h1-24,40H,(H,44,45,46)
InChIKeyIQQQPYLUUUHDMY-UHFFFAOYSA-N
XLogP8.75
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.69
LogP ≤ 58.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961195
4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170248098
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170246810
3-[6-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]quinoxalin-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 168747063
2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
CID 163827341
2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170264704
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030467
2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030009
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293740
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 3-[6-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine (CID 168746539) is 3-[6-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 3-[6-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 3-[6-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine is c1ccc(C2=NC(c3ccc(-c4ccc5ncnc(-c6cc7c(cn6)oc6ccccc67)c5c4)cc3)N=C(c3ccccc3)N2)cc1.
What is the InChIKey of 3-[6-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is IQQQPYLUUUHDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N6O/c1-3-9-26(10-4-1)38-44-39(27-11-5-2-6-12-27)46-40(45-38)28-17-15-25(16-18-28)29-19-20-33-32(21-29)37(43-24-42-33)34-22-31-30-13-7-8-14-35(30)47-36(31)23-41-34/h1-24,40H,(H,44,45,46).
What are the key properties of 3-[6-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine?
3-[6-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 606.69 g/mol, XLogP of 8.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 168746539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).