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

C46H30N4O — CID 163785273

IUPAC1-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-naphthalen-2-yl-[1]benzofuro[2,3-b]quinoline
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccccc3-c3ccc(-c4ccc5ccccc5c4)c4oc5nc6ccccc6cc5c34)=N2)cc1
InChIInChI=1S/C46H30N4O/c1-3-14-30(15-4-1)43-48-44(31-16-5-2-6-17-31)50-45(49-43)38-21-11-10-20-36(38)37-26-25-35(33-24-23-29-13-7-8-18-32(29)27-33)42-41(37)39-28-34-19-9-12-22-40(34)47-46(39)51-42/h1-28,43H,(H,48,49,50)
InChIKeySHVPTCDFDUPNQD-UHFFFAOYSA-N
MW654.77 g/mol
LogP11.12
Rot. Bonds5

About 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

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 (PubChem CID 163785273) has the molecular formula C46H30N4O and a molecular weight of 654.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-naphthalen-2-yl-[1]benzofuro[2,3-b]quinoline
PubChem CID163785273
Molecular FormulaC46H30N4O
Molecular Weight654.77 g/mol
Exact Mass654.24
IUPAC Name1-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-naphthalen-2-yl-[1]benzofuro[2,3-b]quinoline
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccccc3-c3ccc(-c4ccc5ccccc5c4)c4oc5nc6ccccc6cc5c34)=N2)cc1
InChIInChI=1S/C46H30N4O/c1-3-14-30(15-4-1)43-48-44(31-16-5-2-6-17-31)50-45(49-43)38-21-11-10-20-36(38)37-26-25-35(33-24-23-29-13-7-8-18-32(29)27-33)42-41(37)39-28-34-19-9-12-22-40(34)47-46(39)51-42/h1-28,43H,(H,48,49,50)
InChIKeySHVPTCDFDUPNQD-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 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 with MolForge

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Related Compounds

1-[2-(2-dibenzofuran-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-b]quinoline
CID 162035273
6-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenyl-[1]benzofuro[3,2-b]quinoline
CID 166800249
2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 163752446
12-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 166799978
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997
4-naphthalen-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]quinoline
CID 166502460
6-(9-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029850
4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 154940466
4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 156553943
6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 137285203
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
6-(9-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029846

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=NC(c3ccccc3)NC(c3ccccc3-c3ccc(-c4ccc5ccccc5c4)c4oc5nc6ccccc6cc5c34)=N2)cc1.
What is the InChIKey of 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?
The InChIKey is SHVPTCDFDUPNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4O/c1-3-14-30(15-4-1)43-48-44(31-16-5-2-6-17-31)50-45(49-43)38-21-11-10-20-36(38)37-26-25-35(33-24-23-29-13-7-8-18-32(29)27-33)42-41(37)39-28-34-19-9-12-22-40(34)47-46(39)51-42/h1-28,43H,(H,48,49,50).
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 163785273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).