9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridine

C42H24N4O2 — CID 168785611

IUPAC9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)c4oc5ccncc5c34)n2)cc1
InChIInChI=1S/C42H24N4O2/c1-3-11-26(12-4-1)40-44-41(27-13-5-2-6-14-27)46-42(45-40)32-21-20-30(39-37(32)33-24-43-23-22-34(33)47-39)29-16-9-17-35-36(29)31-19-18-25-10-7-8-15-28(25)38(31)48-35/h1-24H
InChIKeyWREZROJSSLZADJ-UHFFFAOYSA-N
MW616.68 g/mol
LogP10.89
Rot. Bonds4

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridine

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridine (PubChem CID 168785611) has the molecular formula C42H24N4O2 and a molecular weight of 616.68 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridine
PubChem CID168785611
Molecular FormulaC42H24N4O2
Molecular Weight616.68 g/mol
Exact Mass616.19
IUPAC Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)c4oc5ccncc5c34)n2)cc1
InChIInChI=1S/C42H24N4O2/c1-3-11-26(12-4-1)40-44-41(27-13-5-2-6-14-27)46-42(45-40)32-21-20-30(39-37(32)33-24-43-23-22-34(33)47-39)29-16-9-17-35-36(29)31-19-18-25-10-7-8-15-28(25)38(31)48-35/h1-24H
InChIKeyWREZROJSSLZADJ-UHFFFAOYSA-N
XLogP10.89
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.68
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridine with MolForge

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Related Compounds

2-(6-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166740940
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[9-[3-[4-(6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridin-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzothiol-7-yl]-[1]benzofuro[3,2-c]pyridine
CID 175612576
6-[2-(4-naphtho[1,2-b][1]benzofuran-7-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-h]isoquinoline
CID 174288331
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
CID 168785118
2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155155981
2-(4-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166739181
2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741050
2-phenyl-4-(4-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155477197
2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742174
9-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 168784979
2-(6-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166740989
2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 166743398

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridine (CID 168785611) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)c4oc5ccncc5c34)n2)cc1.
What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridine?
The InChIKey is WREZROJSSLZADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O2/c1-3-11-26(12-4-1)40-44-41(27-13-5-2-6-14-27)46-42(45-40)32-21-20-30(39-37(32)33-24-43-23-22-34(33)47-39)29-16-9-17-35-36(29)31-19-18-25-10-7-8-15-28(25)38(31)48-35/h1-24H.
What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridine?
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridine has a molecular weight of 616.68 g/mol, XLogP of 10.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 168785611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).