5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluoranthen-8-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine

C42H26N4O — CID 163990467

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluoranthen-8-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
SMILESC1=CC(c2ccc3c(c2)-c2cccc4cccc-3c24)Nc2oc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21
InChIInChI=1S/C42H26N4O/c1-3-10-26(11-4-1)39-44-40(27-12-5-2-6-13-27)46-41(45-39)32-18-9-19-36-38(32)33-22-23-35(43-42(33)47-36)28-20-21-29-30-16-7-14-25-15-8-17-31(37(25)30)34(29)24-28/h1-24,35,43H
InChIKeyUAEBVMKWPLDJJV-UHFFFAOYSA-N
MW602.70 g/mol
LogP10.60
Rot. Bonds4

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluoranthen-8-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluoranthen-8-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine (PubChem CID 163990467) has the molecular formula C42H26N4O and a molecular weight of 602.70 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluoranthen-8-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluoranthen-8-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
PubChem CID163990467
Molecular FormulaC42H26N4O
Molecular Weight602.70 g/mol
Exact Mass602.21
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluoranthen-8-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
SMILESC1=CC(c2ccc3c(c2)-c2cccc4cccc-3c24)Nc2oc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21
InChIInChI=1S/C42H26N4O/c1-3-10-26(11-4-1)39-44-40(27-12-5-2-6-13-27)46-41(45-39)32-18-9-19-36-38(32)33-22-23-35(43-42(33)47-36)28-20-21-29-30-16-7-14-25-15-8-17-31(37(25)30)34(29)24-28/h1-24,35,43H
InChIKeyUAEBVMKWPLDJJV-UHFFFAOYSA-N
XLogP10.60
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.70
LogP ≤ 510.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 155404550
2-fluoranthen-8-yl-4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine
CID 166848284
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
CID 166801235
2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 166848208
2-[4-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 163945090
2-(9-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742190
2-[4-(3-fluoranthen-8-ylnaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168756386
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 168731826
9-[2-[4-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163948127
2-naphthalen-2-yl-4-(8-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 174316507
2-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 146660856
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluoranthen-8-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluoranthen-8-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine (CID 163990467) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluoranthen-8-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluoranthen-8-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluoranthen-8-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine is C1=CC(c2ccc3c(c2)-c2cccc4cccc-3c24)Nc2oc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluoranthen-8-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The InChIKey is UAEBVMKWPLDJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O/c1-3-10-26(11-4-1)39-44-40(27-12-5-2-6-13-27)46-41(45-39)32-18-9-19-36-38(32)33-22-23-35(43-42(33)47-36)28-20-21-29-30-16-7-14-25-15-8-17-31(37(25)30)34(29)24-28/h1-24,35,43H.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluoranthen-8-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluoranthen-8-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine has a molecular weight of 602.70 g/mol, XLogP of 10.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-fluoranthen-8-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 163990467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).