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

C42H26N4O — CID 163851853

IUPAC1-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine
SMILESC1=Cc2oc3ccccc3c2C(c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c6c(cccc6c4)-c4ccccc4-5)cc3)n2)N1
InChIInChI=1S/C42H26N4O/c1-2-9-26(10-3-1)40-44-41(46-42(45-40)39-38-33-14-6-7-16-35(33)47-36(38)21-22-43-39)27-19-17-25(18-20-27)29-23-28-11-8-15-32-30-12-4-5-13-31(30)34(24-29)37(28)32/h1-24,39,43H
InChIKeyLCPGJEPFRKFDLL-UHFFFAOYSA-N
MW602.70 g/mol
LogP10.08
Rot. Bonds4

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

1-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine (PubChem CID 163851853) has the molecular formula C42H26N4O and a molecular weight of 602.70 g/mol. Its IUPAC name is 1-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name1-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine
PubChem CID163851853
Molecular FormulaC42H26N4O
Molecular Weight602.70 g/mol
Exact Mass602.21
IUPAC Name1-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine
SMILESC1=Cc2oc3ccccc3c2C(c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c6c(cccc6c4)-c4ccccc4-5)cc3)n2)N1
InChIInChI=1S/C42H26N4O/c1-2-9-26(10-3-1)40-44-41(46-42(45-40)39-38-33-14-6-7-16-35(33)47-36(38)21-22-43-39)27-19-17-25(18-20-27)29-23-28-11-8-15-32-30-12-4-5-13-31(30)34(24-29)37(28)32/h1-24,39,43H
InChIKeyLCPGJEPFRKFDLL-UHFFFAOYSA-N
XLogP10.08
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 ≤ 510.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

12-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene
CID 166800209
4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785254
4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-methyl-2H-[1]benzofuro[2,3-b]pyridine
CID 168785006
2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine
CID 155404604
4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295244
2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 170123504
4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168785351
4-[4-(3-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295026
2-[9-(2-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773441
1-(4-chrysen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1H-[1]benzofuro[3,2-c]pyridin-2-ide
CID 163836654
2-fluoranthen-2-yl-4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 137393164
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 1-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine (CID 163851853) is 1-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 1-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 1-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine is C1=Cc2oc3ccccc3c2C(c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c6c(cccc6c4)-c4ccccc4-5)cc3)n2)N1.
What is the InChIKey of 1-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine?
The InChIKey is LCPGJEPFRKFDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O/c1-2-9-26(10-3-1)40-44-41(46-42(45-40)39-38-33-14-6-7-16-35(33)47-36(38)21-22-43-39)27-19-17-25(18-20-27)29-23-28-11-8-15-32-30-12-4-5-13-31(30)34(24-29)37(28)32/h1-24,39,43H.
What are the key properties of 1-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine?
1-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine has a molecular weight of 602.70 g/mol, XLogP of 10.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 163851853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).