9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine

C55H36N4O — CID 171597225

IUPAC9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc4c(c3)oc3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)c3ccc(-c4ccccc4)c4ccccc34)c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C55H36N4O/c1-5-16-37(17-6-1)38-28-30-42(31-29-38)59(49-35-34-44(39-18-7-2-8-19-39)45-24-13-14-25-46(45)49)43-32-33-47-51(36-43)60-50-27-15-26-48(52(47)50)55-57-53(40-20-9-3-10-21-40)56-54(58-55)41-22-11-4-12-23-41/h1-36H/i1D,5D,6D,16D,17D,28D,29D,30D,31D
InChIKeyPSVLRZBEFOKMMU-HYWQOCSFSA-N
MW777.97 g/mol
LogP14.73
Rot. Bonds8

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine (PubChem CID 171597225) has the molecular formula C55H36N4O and a molecular weight of 777.97 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine
PubChem CID171597225
Molecular FormulaC55H36N4O
Molecular Weight777.97 g/mol
Exact Mass777.35
IUPAC Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc4c(c3)oc3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)c3ccc(-c4ccccc4)c4ccccc34)c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C55H36N4O/c1-5-16-37(17-6-1)38-28-30-42(31-29-38)59(49-35-34-44(39-18-7-2-8-19-39)45-24-13-14-25-46(45)49)43-32-33-47-51(36-43)60-50-27-15-26-48(52(47)50)55-57-53(40-20-9-3-10-21-40)56-54(58-55)41-22-11-4-12-23-41/h1-36H/i1D,5D,6D,16D,17D,28D,29D,30D,31D
InChIKeyPSVLRZBEFOKMMU-HYWQOCSFSA-N
XLogP14.73
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine with MolForge

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Related Compounds

2,4,6,7,8,9-hexadeuterio-N-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine
CID 171596962
2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 168770189
6-phenyl-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine
CID 177287422
2,4-bis(4-phenylphenyl)-6-[9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164797899
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 176854016
2-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 168769768
N,N-bis(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176818480
4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 169048402
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171597177
2-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164798089
9-[4-[7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 168770059
2-[7-(3,5-diphenylphenyl)dibenzofuran-1-yl]-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171414704

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine (CID 171597225) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc4c(c3)oc3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)c3ccc(-c4ccccc4)c4ccccc34)c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is PSVLRZBEFOKMMU-HYWQOCSFSA-N. The full InChI is InChI=1S/C55H36N4O/c1-5-16-37(17-6-1)38-28-30-42(31-29-38)59(49-35-34-44(39-18-7-2-8-19-39)45-24-13-14-25-46(45)49)43-32-33-47-51(36-43)60-50-27-15-26-48(52(47)50)55-57-53(40-20-9-3-10-21-40)56-54(58-55)41-22-11-4-12-23-41/h1-36H/i1D,5D,6D,16D,17D,28D,29D,30D,31D.
What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine?
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 777.97 g/mol, XLogP of 14.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 171597225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).