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

C42H28N4O — CID 163426501

IUPAC4-[4-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4ccc(-c5cncc6oc7ccccc7c56)cc4)c4ccccc34)=N2)cc1
InChIInChI=1S/C42H28N4O/c1-3-11-29(12-4-1)40-44-41(30-13-5-2-6-14-30)46-42(45-40)34-24-23-31(32-15-7-8-16-33(32)34)27-19-21-28(22-20-27)36-25-43-26-38-39(36)35-17-9-10-18-37(35)47-38/h1-26,40H,(H,44,45,46)
InChIKeyAMYYQQPJXUSQPR-UHFFFAOYSA-N
MW604.71 g/mol
LogP9.96
Rot. Bonds5

About 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

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 (PubChem CID 163426501) has the molecular formula C42H28N4O and a molecular weight of 604.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[4-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
PubChem CID163426501
Molecular FormulaC42H28N4O
Molecular Weight604.71 g/mol
Exact Mass604.23
IUPAC Name4-[4-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4ccc(-c5cncc6oc7ccccc7c56)cc4)c4ccccc34)=N2)cc1
InChIInChI=1S/C42H28N4O/c1-3-11-29(12-4-1)40-44-41(30-13-5-2-6-14-30)46-42(45-40)34-24-23-31(32-15-7-8-16-33(32)34)27-19-21-28(22-20-27)36-25-43-26-38-39(36)35-17-9-10-18-37(35)47-38/h1-26,40H,(H,44,45,46)
InChIKeyAMYYQQPJXUSQPR-UHFFFAOYSA-N
XLogP9.96
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.71
LogP ≤ 59.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
2,4-diphenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 166961389
6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 170364065
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
2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 166961451
5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine
CID 166801570
2,6-diphenyl-4-(9-triphenylen-2-yldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazine
CID 166961434
4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170247021
4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167029619
4-phenanthren-9-yl-2-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 167030279
6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200
6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 137285203

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4ccc(-c5cncc6oc7ccccc7c56)cc4)c4ccccc34)=N2)cc1.
What is the InChIKey of 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?
The InChIKey is AMYYQQPJXUSQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4O/c1-3-11-29(12-4-1)40-44-41(30-13-5-2-6-14-30)46-42(45-40)34-24-23-31(32-15-7-8-16-33(32)34)27-19-21-28(22-20-27)36-25-43-26-38-39(36)35-17-9-10-18-37(35)47-38/h1-26,40H,(H,44,45,46).
What are the key properties of 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?
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 has a molecular weight of 604.71 g/mol, XLogP of 9.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163426501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).