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

C46H30N4O — CID 163628503

IUPAC9-[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
SMILESc1ccc(C2=NC(c3ccc4ccccc4c3)NC(c3ccc(-c4ccc(-c5cccc6oc7ccncc7c56)c5ccccc45)cc3)=N2)cc1
InChIInChI=1S/C46H30N4O/c1-2-10-31(11-3-1)44-48-45(50-46(49-44)34-22-17-29-9-4-5-12-33(29)27-34)32-20-18-30(19-21-32)35-23-24-38(37-14-7-6-13-36(35)37)39-15-8-16-42-43(39)40-28-47-26-25-41(40)51-42/h1-28,46H,(H,48,49,50)
InChIKeyHUAWMOWZVCIDFQ-UHFFFAOYSA-N
MW654.77 g/mol
LogP11.12
Rot. Bonds5

About 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

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 (PubChem CID 163628503) has the molecular formula C46H30N4O and a molecular weight of 654.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID163628503
Molecular FormulaC46H30N4O
Molecular Weight654.77 g/mol
Exact Mass654.24
IUPAC Name9-[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
SMILESc1ccc(C2=NC(c3ccc4ccccc4c3)NC(c3ccc(-c4ccc(-c5cccc6oc7ccncc7c56)c5ccccc45)cc3)=N2)cc1
InChIInChI=1S/C46H30N4O/c1-2-10-31(11-3-1)44-48-45(50-46(49-44)34-22-17-29-9-4-5-12-33(29)27-34)32-20-18-30(19-21-32)35-23-24-38(37-14-7-6-13-36(35)37)39-15-8-16-42-43(39)40-28-47-26-25-41(40)51-42/h1-28,46H,(H,48,49,50)
InChIKeyHUAWMOWZVCIDFQ-UHFFFAOYSA-N
XLogP11.12
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.77
LogP ≤ 511.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

2-naphthalen-2-yl-4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170247017
2-naphthalen-2-yl-4-(7-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170246939
6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 167007408
6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 137285203
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
4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167029619
4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170247021
2-naphthalen-2-yl-4-phenanthren-9-yl-6-(8-phenyldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 167029547
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[3-(8-phenyldibenzofuran-1-yl)phenyl]-1,2-dihydro-1,3,5-triazine
CID 167030113
4-(2-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-2-phenanthren-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170248582
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
4-[4-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 163426501

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=NC(c3ccc4ccccc4c3)NC(c3ccc(-c4ccc(-c5cccc6oc7ccncc7c56)c5ccccc45)cc3)=N2)cc1.
What is the InChIKey of 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?
The InChIKey is HUAWMOWZVCIDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4O/c1-2-10-31(11-3-1)44-48-45(50-46(49-44)34-22-17-29-9-4-5-12-33(29)27-34)32-20-18-30(19-21-32)35-23-24-38(37-14-7-6-13-36(35)37)39-15-8-16-42-43(39)40-28-47-26-25-41(40)51-42/h1-28,46H,(H,48,49,50).
What are the key properties of 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?
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 has a molecular weight of 654.77 g/mol, XLogP of 11.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163628503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).