9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenyldibenzofuran-3-amine

C51H34N4O2 — CID 170079403

IUPAC9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenyldibenzofuran-3-amine
SMILESc1ccc(C2=NC(c3cccc4oc5cc(-c6cccc7oc8cc(N(c9ccccc9)c9ccccc9)ccc8c67)ccc5c34)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C51H34N4O2/c1-5-15-33(16-6-1)49-52-50(34-17-7-2-8-18-34)54-51(53-49)42-24-14-26-44-48(42)40-29-27-35(31-45(40)56-44)39-23-13-25-43-47(39)41-30-28-38(32-46(41)57-43)55(36-19-9-3-10-20-36)37-21-11-4-12-22-37/h1-32,51H,(H,52,53,54)
InChIKeyPIPQAVYHYIPDBM-UHFFFAOYSA-N
MW734.86 g/mol
LogP13.12
Rot. Bonds7

About 9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenyldibenzofuran-3-amine

9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenyldibenzofuran-3-amine (PubChem CID 170079403) has the molecular formula C51H34N4O2 and a molecular weight of 734.86 g/mol. Its IUPAC name is 9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenyldibenzofuran-3-amine.

Molecular Properties

Compound Name9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenyldibenzofuran-3-amine
PubChem CID170079403
Molecular FormulaC51H34N4O2
Molecular Weight734.86 g/mol
Exact Mass734.27
IUPAC Name9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenyldibenzofuran-3-amine
SMILESc1ccc(C2=NC(c3cccc4oc5cc(-c6cccc7oc8cc(N(c9ccccc9)c9ccccc9)ccc8c67)ccc5c34)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C51H34N4O2/c1-5-15-33(16-6-1)49-52-50(34-17-7-2-8-18-34)54-51(53-49)42-24-14-26-44-48(42)40-29-27-35(31-45(40)56-44)39-23-13-25-43-47(39)41-30-28-38(32-46(41)57-43)55(36-19-9-3-10-20-36)37-21-11-4-12-22-37/h1-32,51H,(H,52,53,54)
InChIKeyPIPQAVYHYIPDBM-UHFFFAOYSA-N
XLogP13.12
TPSA66.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.86
LogP ≤ 513.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenyldibenzofuran-3-amine with MolForge

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Related Compounds

2,6-diphenyl-4-(9-triphenylen-2-yldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazine
CID 166961434
2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 148787787
2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250309
4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 163577931
1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine
CID 156550295
2-dibenzofuran-1-yl-4-(3-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazine
CID 170294238
9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole
CID 163906905
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
N,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine
CID 171050143
9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171597091
5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176844259
2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156575051

Frequently Asked Questions

What is the IUPAC name of 9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenyldibenzofuran-3-amine?
The IUPAC name of 9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenyldibenzofuran-3-amine (CID 170079403) is 9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenyldibenzofuran-3-amine.
What is the SMILES notation for 9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenyldibenzofuran-3-amine?
The canonical SMILES for 9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenyldibenzofuran-3-amine is c1ccc(C2=NC(c3cccc4oc5cc(-c6cccc7oc8cc(N(c9ccccc9)c9ccccc9)ccc8c67)ccc5c34)NC(c3ccccc3)=N2)cc1.
What is the InChIKey of 9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenyldibenzofuran-3-amine?
The InChIKey is PIPQAVYHYIPDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O2/c1-5-15-33(16-6-1)49-52-50(34-17-7-2-8-18-34)54-51(53-49)42-24-14-26-44-48(42)40-29-27-35(31-45(40)56-44)39-23-13-25-43-47(39)41-30-28-38(32-46(41)57-43)55(36-19-9-3-10-20-36)37-21-11-4-12-22-37/h1-32,51H,(H,52,53,54).
What are the key properties of 9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenyldibenzofuran-3-amine?
9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenyldibenzofuran-3-amine has a molecular weight of 734.86 g/mol, XLogP of 13.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenyldibenzofuran-3-amine is sourced from PubChem (CID 170079403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).