1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine

C47H32N4O — CID 156550295

IUPAC1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine
SMILESc1ccc(C2=NC(c3cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc4oc5ccccc5c34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C47H32N4O/c1-3-15-33(16-4-1)45-48-46(34-17-5-2-6-18-34)50-47(49-45)41-29-39(30-43-44(41)40-21-11-12-22-42(40)52-43)51(37-25-23-31-13-7-9-19-35(31)27-37)38-26-24-32-14-8-10-20-36(32)28-38/h1-30,45H,(H,48,49,50)
InChIKeyCUVYAMDHTPSXDM-UHFFFAOYSA-N
MW668.80 g/mol
LogP11.86
Rot. Bonds6

About 1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine

1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine (PubChem CID 156550295) has the molecular formula C47H32N4O and a molecular weight of 668.80 g/mol. Its IUPAC name is 1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine.

Molecular Properties

Compound Name1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine
PubChem CID156550295
Molecular FormulaC47H32N4O
Molecular Weight668.80 g/mol
Exact Mass668.26
IUPAC Name1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine
SMILESc1ccc(C2=NC(c3cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc4oc5ccccc5c34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C47H32N4O/c1-3-15-33(16-4-1)45-48-46(34-17-5-2-6-18-34)50-47(49-45)41-29-39(30-43-44(41)40-21-11-12-22-42(40)52-43)51(37-25-23-31-13-7-9-19-35(31)27-37)38-26-24-32-14-8-10-20-36(32)28-38/h1-30,45H,(H,48,49,50)
InChIKeyCUVYAMDHTPSXDM-UHFFFAOYSA-N
XLogP11.86
TPSA53.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.80
LogP ≤ 511.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997
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-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167029619
4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170248755
2-naphthalen-2-yl-4-(7-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170246939
4-(3-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 167030334
11-[1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-6-phenylbenzo[a]carbazole
CID 163969593
12-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166701946
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775174
3-[10-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline
CID 156553919

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine?
The IUPAC name of 1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine (CID 156550295) is 1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine.
What is the SMILES notation for 1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine?
The canonical SMILES for 1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine is c1ccc(C2=NC(c3cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc4oc5ccccc5c34)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine?
The InChIKey is CUVYAMDHTPSXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4O/c1-3-15-33(16-4-1)45-48-46(34-17-5-2-6-18-34)50-47(49-45)41-29-39(30-43-44(41)40-21-11-12-22-42(40)52-43)51(37-25-23-31-13-7-9-19-35(31)27-37)38-26-24-32-14-8-10-20-36(32)28-38/h1-30,45H,(H,48,49,50).
What are the key properties of 1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine?
1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine has a molecular weight of 668.80 g/mol, XLogP of 11.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine is sourced from PubChem (CID 156550295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).