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

C46H28N4O2 — CID 171736813

IUPAC9-[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
SMILESc1ccc2cc(C3N=C(c4cccc5oc6cccnc6c45)N=C(c4ccc(-c5cccc6oc7ccccc7c56)c5ccccc45)N3)ccc2c1
InChIInChI=1S/C46H28N4O2/c1-2-11-28-26-29(22-21-27(28)10-1)44-48-45(50-46(49-44)36-16-8-19-39-42(36)43-40(52-39)20-9-25-47-43)34-24-23-32(30-12-3-4-13-31(30)34)33-15-7-18-38-41(33)35-14-5-6-17-37(35)51-38/h1-26,44H,(H,48,49,50)
InChIKeyOOVSPPMYRFWWNP-UHFFFAOYSA-N
MW668.76 g/mol
LogP11.35
Rot. Bonds4

About 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

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 (PubChem CID 171736813) has the molecular formula C46H28N4O2 and a molecular weight of 668.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID171736813
Molecular FormulaC46H28N4O2
Molecular Weight668.76 g/mol
Exact Mass668.22
IUPAC Name9-[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
SMILESc1ccc2cc(C3N=C(c4cccc5oc6cccnc6c45)N=C(c4ccc(-c5cccc6oc7ccccc7c56)c5ccccc45)N3)ccc2c1
InChIInChI=1S/C46H28N4O2/c1-2-11-28-26-29(22-21-27(28)10-1)44-48-45(50-46(49-44)36-16-8-19-39-42(36)43-40(52-39)20-9-25-47-43)34-24-23-32(30-12-3-4-13-31(30)34)33-15-7-18-38-41(33)35-14-5-6-17-37(35)51-38/h1-26,44H,(H,48,49,50)
InChIKeyOOVSPPMYRFWWNP-UHFFFAOYSA-N
XLogP11.35
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.76
LogP ≤ 511.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

9-[4-[4-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
CID 163628503
2,6-dinaphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170293576
2-naphthalen-2-yl-4-(7-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170246939
2-naphthalen-2-yl-4-phenanthren-9-yl-6-(8-phenyldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 167029547
4-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[2,3-c]pyridine
CID 163854354
2-naphthalen-2-yl-4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170247017
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
9-[2-naphthalen-2-yl-4-(4-phenylnaphthalen-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-b]pyridine
CID 166801790
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 170145449
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250101
6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 167007408
4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167029619

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2cc(C3N=C(c4cccc5oc6cccnc6c45)N=C(c4ccc(-c5cccc6oc7ccccc7c56)c5ccccc45)N3)ccc2c1.
What is the InChIKey of 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?
The InChIKey is OOVSPPMYRFWWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O2/c1-2-11-28-26-29(22-21-27(28)10-1)44-48-45(50-46(49-44)36-16-8-19-39-42(36)43-40(52-39)20-9-25-47-43)34-24-23-32(30-12-3-4-13-31(30)34)33-15-7-18-38-41(33)35-14-5-6-17-37(35)51-38/h1-26,44H,(H,48,49,50).
What are the key properties of 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?
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 has a molecular weight of 668.76 g/mol, XLogP of 11.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171736813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).