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

C35H21N5O — CID 168746066

IUPAC3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-2-yl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5c(cn4)oc4ccccc45)nc4ccccc34)n2)cc1
InChIInChI=1S/C35H21N5O/c1-3-11-22(12-4-1)33-38-34(23-13-5-2-6-14-23)40-35(39-33)27-20-30(37-28-17-9-7-15-24(27)28)29-19-26-25-16-8-10-18-31(25)41-32(26)21-36-29/h1-21H
InChIKeyXQHHMZYZZWKJOY-UHFFFAOYSA-N
MW527.59 g/mol
LogP8.38
Rot. Bonds4

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

3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-2-yl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 168746066) has the molecular formula C35H21N5O and a molecular weight of 527.59 g/mol. Its IUPAC name is 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-2-yl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-2-yl]-[1]benzofuro[2,3-c]pyridine
PubChem CID168746066
Molecular FormulaC35H21N5O
Molecular Weight527.59 g/mol
Exact Mass527.17
IUPAC Name3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-2-yl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5c(cn4)oc4ccccc45)nc4ccccc34)n2)cc1
InChIInChI=1S/C35H21N5O/c1-3-11-22(12-4-1)33-38-34(23-13-5-2-6-14-23)40-35(39-33)27-20-30(37-28-17-9-7-15-24(27)28)29-19-26-25-16-8-10-18-31(25)41-32(26)21-36-29/h1-21H
InChIKeyXQHHMZYZZWKJOY-UHFFFAOYSA-N
XLogP8.38
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.59
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine
CID 168745917
3-cinnolin-3-yl-[1]benzofuro[2,3-c]pyridine
CID 168746605
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-quinolin-2-yl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 168745980
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-[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-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942624
2-(4-dibenzofuran-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251319
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
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
13-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-quinolin-2-yl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 168747059
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-2-yl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-2-yl]-[1]benzofuro[2,3-c]pyridine (CID 168746066) is 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-2-yl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-2-yl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-2-yl]-[1]benzofuro[2,3-c]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5c(cn4)oc4ccccc45)nc4ccccc34)n2)cc1.
What is the InChIKey of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-2-yl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is XQHHMZYZZWKJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N5O/c1-3-11-22(12-4-1)33-38-34(23-13-5-2-6-14-23)40-35(39-33)27-20-30(37-28-17-9-7-15-24(27)28)29-19-26-25-16-8-10-18-31(25)41-32(26)21-36-29/h1-21H.
What are the key properties of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-2-yl]-[1]benzofuro[2,3-c]pyridine?
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-2-yl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 527.59 g/mol, XLogP of 8.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-2-yl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 168746066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).