4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine

C47H31N3O — CID 137223943

IUPAC4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3c(-c4ccc(-c5ccc6c(c5)oc5ccc7ccccc7c56)cc4)ccc4ccccc34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C47H31N3O/c1-3-13-34(14-4-1)45-48-46(35-15-5-2-6-16-35)50-47(49-45)44-38-18-10-8-11-31(38)23-26-39(44)33-21-19-30(20-22-33)36-24-27-40-42(29-36)51-41-28-25-32-12-7-9-17-37(32)43(40)41/h1-29,45H,(H,48,49,50)
InChIKeySVNUPAXRJVESIH-UHFFFAOYSA-N
MW653.79 g/mol
LogP11.72
Rot. Bonds5

About 4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine

4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 137223943) has the molecular formula C47H31N3O and a molecular weight of 653.79 g/mol. Its IUPAC name is 4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
PubChem CID137223943
Molecular FormulaC47H31N3O
Molecular Weight653.79 g/mol
Exact Mass653.25
IUPAC Name4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3c(-c4ccc(-c5ccc6c(c5)oc5ccc7ccccc7c56)cc4)ccc4ccccc34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C47H31N3O/c1-3-13-34(14-4-1)45-48-46(35-15-5-2-6-16-35)50-47(49-45)44-38-18-10-8-11-31(38)23-26-39(44)33-21-19-30(20-22-33)36-24-27-40-42(29-36)51-41-28-25-32-12-7-9-17-37(32)43(40)41/h1-29,45H,(H,48,49,50)
InChIKeySVNUPAXRJVESIH-UHFFFAOYSA-N
XLogP11.72
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.79
LogP ≤ 511.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167008301
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997
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
4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170247021
4-[3-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166867441
4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 154940466
2,6-diphenyl-4-(9-triphenylen-2-yldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazine
CID 166961434
2,6-diphenyl-4-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 146407693
12-[9-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[2,1-b][1]benzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 163510429
4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167029619
6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 145415039

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine (CID 137223943) is 4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3c(-c4ccc(-c5ccc6c(c5)oc5ccc7ccccc7c56)cc4)ccc4ccccc34)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is SVNUPAXRJVESIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3O/c1-3-13-34(14-4-1)45-48-46(35-15-5-2-6-16-35)50-47(49-45)44-38-18-10-8-11-31(38)23-26-39(44)33-21-19-30(20-22-33)36-24-27-40-42(29-36)51-41-28-25-32-12-7-9-17-37(32)43(40)41/h1-29,45H,(H,48,49,50).
What are the key properties of 4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 653.79 g/mol, XLogP of 11.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 137223943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).