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

C47H31N3O — CID 156553975

IUPAC6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cc(-c4ccc(-c5cccc6ccccc56)cc4)c4oc5cc6ccccc6cc5c4c3)=N2)cc1
InChIInChI=1S/C47H31N3O/c1-3-13-33(14-4-1)45-48-46(34-15-5-2-6-16-34)50-47(49-45)37-27-40(44-42(28-37)41-26-35-17-7-8-18-36(35)29-43(41)51-44)32-24-22-31(23-25-32)39-21-11-19-30-12-9-10-20-38(30)39/h1-29,45H,(H,48,49,50)
InChIKeyKLEFDAFGBAULSH-UHFFFAOYSA-N
MW653.79 g/mol
LogP11.72
Rot. Bonds5

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

6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 156553975) has the molecular formula C47H31N3O and a molecular weight of 653.79 g/mol. Its IUPAC name is 6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
PubChem CID156553975
Molecular FormulaC47H31N3O
Molecular Weight653.79 g/mol
Exact Mass653.25
IUPAC Name6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cc(-c4ccc(-c5cccc6ccccc56)cc4)c4oc5cc6ccccc6cc5c4c3)=N2)cc1
InChIInChI=1S/C47H31N3O/c1-3-13-33(14-4-1)45-48-46(34-15-5-2-6-16-34)50-47(49-45)37-27-40(44-42(28-37)41-26-35-17-7-8-18-36(35)29-43(41)51-44)32-24-22-31(23-25-32)39-21-11-19-30-12-9-10-20-38(30)39/h1-29,45H,(H,48,49,50)
InChIKeyKLEFDAFGBAULSH-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

12-[6-(4-naphthalen-1-ylphenyl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 163708813
6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200
6-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 163769407
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
6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 167029607
4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170247021
9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-4-yl]carbazole
CID 167032691
4-(4-naphthalen-1-ylphenyl)-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167132630
2-(4-naphthalen-1-ylphenyl)-6-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine
CID 145340320
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
4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167029619
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine (CID 156553975) is 6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccccc3)NC(c3cc(-c4ccc(-c5cccc6ccccc56)cc4)c4oc5cc6ccccc6cc5c4c3)=N2)cc1.
What is the InChIKey of 6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is KLEFDAFGBAULSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3O/c1-3-13-33(14-4-1)45-48-46(34-15-5-2-6-16-34)50-47(49-45)37-27-40(44-42(28-37)41-26-35-17-7-8-18-36(35)29-43(41)51-44)32-24-22-31(23-25-32)39-21-11-19-30-12-9-10-20-38(30)39/h1-29,45H,(H,48,49,50).
What are the key properties of 6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine?
6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-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 6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 156553975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).