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

C42H28N4O2 — CID 166801281

IUPAC9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-b]pyridine
SMILESC1=Cc2oc3cccc(C4=NC(c5cccc6c(-c7cccc8oc9ccccc9c78)cccc56)N=C(c5ccccc5)N4)c3c2NC1
InChIInChI=1S/C42H28N4O2/c1-2-11-25(12-3-1)40-44-41(46-42(45-40)32-19-9-22-35-38(32)39-36(48-35)23-10-24-43-39)30-18-7-14-26-27(15-6-16-28(26)30)29-17-8-21-34-37(29)31-13-4-5-20-33(31)47-34/h1-23,41,43H,24H2,(H,44,45,46)
InChIKeyOSUWGVNBFJMDBM-UHFFFAOYSA-N
MW620.71 g/mol
LogP10.09
Rot. Bonds4

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

9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-b]pyridine (PubChem CID 166801281) has the molecular formula C42H28N4O2 and a molecular weight of 620.71 g/mol. Its IUPAC name is 9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-b]pyridine
PubChem CID166801281
Molecular FormulaC42H28N4O2
Molecular Weight620.71 g/mol
Exact Mass620.22
IUPAC Name9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-b]pyridine
SMILESC1=Cc2oc3cccc(C4=NC(c5cccc6c(-c7cccc8oc9ccccc9c78)cccc56)N=C(c5ccccc5)N4)c3c2NC1
InChIInChI=1S/C42H28N4O2/c1-2-11-25(12-3-1)40-44-41(46-42(45-40)32-19-9-22-35-38(32)39-36(48-35)23-10-24-43-39)30-18-7-14-26-27(15-6-16-28(26)30)29-17-8-21-34-37(29)31-13-4-5-20-33(31)47-34/h1-23,41,43H,24H2,(H,44,45,46)
InChIKeyOSUWGVNBFJMDBM-UHFFFAOYSA-N
XLogP10.09
TPSA75.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.71
LogP ≤ 510.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-dibenzofuran-1-yl-6-phenyl-4-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030326
4-dibenzofuran-3-yl-2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170295943
12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene
CID 163493498
4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170290246
4-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)naphthalen-1-yl]-2-dibenzothiophen-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029876
2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030484
2-naphthalen-1-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030014
7-dibenzothiophen-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[3,2-b]pyridine
CID 166801882
2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170246449
10-[6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 163478482
2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170264704
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458

Frequently Asked Questions

What is the IUPAC name of 9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-b]pyridine (CID 166801281) is 9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-b]pyridine is C1=Cc2oc3cccc(C4=NC(c5cccc6c(-c7cccc8oc9ccccc9c78)cccc56)N=C(c5ccccc5)N4)c3c2NC1.
What is the InChIKey of 9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-b]pyridine?
The InChIKey is OSUWGVNBFJMDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4O2/c1-2-11-25(12-3-1)40-44-41(46-42(45-40)32-19-9-22-35-38(32)39-36(48-35)23-10-24-43-39)30-18-7-14-26-27(15-6-16-28(26)30)29-17-8-21-34-37(29)31-13-4-5-20-33(31)47-34/h1-23,41,43H,24H2,(H,44,45,46).
What are the key properties of 9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-b]pyridine?
9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-b]pyridine has a molecular weight of 620.71 g/mol, XLogP of 10.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 166801281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).