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

C35H21N5O — CID 168746654

IUPAC3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-quinolin-2-yl-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4oc5ccccc5c4c(-c4ccc5ccccc5n4)n3)n2)cc1
InChIInChI=1S/C35H21N5O/c1-3-12-23(13-4-1)33-38-34(24-14-5-2-6-15-24)40-35(39-33)28-21-30-31(25-16-8-10-18-29(25)41-30)32(37-28)27-20-19-22-11-7-9-17-26(22)36-27/h1-21H
InChIKeyDADRCDVAQRBBJK-UHFFFAOYSA-N
MW527.59 g/mol
LogP8.38
Rot. Bonds4

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

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-quinolin-2-yl-[1]benzofuro[3,2-c]pyridine (PubChem CID 168746654) has the molecular formula C35H21N5O and a molecular weight of 527.59 g/mol. Its IUPAC name is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-quinolin-2-yl-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-quinolin-2-yl-[1]benzofuro[3,2-c]pyridine
PubChem CID168746654
Molecular FormulaC35H21N5O
Molecular Weight527.59 g/mol
Exact Mass527.17
IUPAC Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-quinolin-2-yl-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4oc5ccccc5c4c(-c4ccc5ccccc5n4)n3)n2)cc1
InChIInChI=1S/C35H21N5O/c1-3-12-23(13-4-1)33-38-34(24-14-5-2-6-15-24)40-35(39-33)28-21-30-31(25-16-8-10-18-29(25)41-30)32(37-28)27-20-19-22-11-7-9-17-26(22)36-27/h1-21H
InChIKeyDADRCDVAQRBBJK-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-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-quinolin-2-yl-[1]benzofuro[3,2-c]pyridine with MolForge

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Related Compounds

1-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 168746500
2-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]quinoline
CID 174301395
2-phenyl-14-[4-(4-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 149484090
2-[3-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134430151
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246237
1-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinolin-3-yl]-[1]benzofuro[3,2-c]pyridine
CID 168746067
2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246240
14-(4-phenylphenyl)-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155247084
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246212
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-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 155380232
2-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-triphenylen-2-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 147951977

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-quinolin-2-yl-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-quinolin-2-yl-[1]benzofuro[3,2-c]pyridine (CID 168746654) is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-quinolin-2-yl-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-quinolin-2-yl-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-quinolin-2-yl-[1]benzofuro[3,2-c]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4oc5ccccc5c4c(-c4ccc5ccccc5n4)n3)n2)cc1.
What is the InChIKey of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-quinolin-2-yl-[1]benzofuro[3,2-c]pyridine?
The InChIKey is DADRCDVAQRBBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N5O/c1-3-12-23(13-4-1)33-38-34(24-14-5-2-6-15-24)40-35(39-33)28-21-30-31(25-16-8-10-18-29(25)41-30)32(37-28)27-20-19-22-11-7-9-17-26(22)36-27/h1-21H.
What are the key properties of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-quinolin-2-yl-[1]benzofuro[3,2-c]pyridine?
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-quinolin-2-yl-[1]benzofuro[3,2-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-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-quinolin-2-yl-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 168746654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).