9-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridine

C42H26N4OS — CID 166801972

IUPAC9-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(C2N=C(c3ccc(-c4ccc5ccccc5c4)c4oc5cccnc5c34)N=C(c3cccc4c3sc3ccccc34)N2)cc1
InChIInChI=1S/C42H26N4OS/c1-2-11-26(12-3-1)40-44-41(46-42(45-40)33-16-8-15-31-30-14-6-7-18-35(30)48-39(31)33)32-22-21-29(28-20-19-25-10-4-5-13-27(25)24-28)38-36(32)37-34(47-38)17-9-23-43-37/h1-24,40H,(H,44,45,46)
InChIKeyWDJMKXXECIRKNZ-UHFFFAOYSA-N
MW634.76 g/mol
LogP10.66
Rot. Bonds4

About 9-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridine

9-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridine (PubChem CID 166801972) has the molecular formula C42H26N4OS and a molecular weight of 634.76 g/mol. Its IUPAC name is 9-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name9-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridine
PubChem CID166801972
Molecular FormulaC42H26N4OS
Molecular Weight634.76 g/mol
Exact Mass634.18
IUPAC Name9-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(C2N=C(c3ccc(-c4ccc5ccccc5c4)c4oc5cccnc5c34)N=C(c3cccc4c3sc3ccccc34)N2)cc1
InChIInChI=1S/C42H26N4OS/c1-2-11-26(12-3-1)40-44-41(46-42(45-40)33-16-8-15-31-30-14-6-7-18-35(30)48-39(31)33)32-22-21-29(28-20-19-25-10-4-5-13-27(25)24-28)38-36(32)37-34(47-38)17-9-23-43-37/h1-24,40H,(H,44,45,46)
InChIKeyWDJMKXXECIRKNZ-UHFFFAOYSA-N
XLogP10.66
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.76
LogP ≤ 510.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997
6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 174310067
8-naphthalen-2-yl-5-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine
CID 166801704
9-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[3,2-b]pyridine
CID 171736813
6-(9-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029846
4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 174321217
4-(4-naphthalen-1-ylphenyl)-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167132630
2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250337
6-(9-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029850
12-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145156440
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170249633
1-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-naphthalen-2-yl-[1]benzofuro[2,3-b]quinoline
CID 163785273

Frequently Asked Questions

What is the IUPAC name of 9-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 9-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridine (CID 166801972) is 9-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 9-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 9-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridine is c1ccc(C2N=C(c3ccc(-c4ccc5ccccc5c4)c4oc5cccnc5c34)N=C(c3cccc4c3sc3ccccc34)N2)cc1.
What is the InChIKey of 9-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is WDJMKXXECIRKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4OS/c1-2-11-26(12-3-1)40-44-41(46-42(45-40)33-16-8-15-31-30-14-6-7-18-35(30)48-39(31)33)32-22-21-29(28-20-19-25-10-4-5-13-27(25)24-28)38-36(32)37-34(47-38)17-9-23-43-37/h1-24,40H,(H,44,45,46).
What are the key properties of 9-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridine?
9-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 634.76 g/mol, XLogP of 10.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 166801972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).