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

C51H34N4O — CID 176854016

IUPAC1-(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
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c(c4)oc4ccccc45)c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c3[2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C51H34N4O/c1-5-16-35(17-6-1)39-22-15-23-40(32-39)36-28-30-42(31-29-36)55(41-24-11-4-12-25-41)43-33-45(48-44-26-13-14-27-46(44)56-47(48)34-43)51-53-49(37-18-7-2-8-19-37)52-50(54-51)38-20-9-3-10-21-38/h1-34H/i1D,4D,5D,6D,11D,12D,15D,16D,17D,22D,23D,24D,25D,28D,29D,30D,31D,32D
InChIKeyWLEGHFXUMBKGHU-LQYHKHTGSA-N
MW736.97 g/mol
LogP13.58
Rot. Bonds8

About 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

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 (PubChem CID 176854016) has the molecular formula C51H34N4O and a molecular weight of 736.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID176854016
Molecular FormulaC51H34N4O
Molecular Weight736.97 g/mol
Exact Mass736.39
IUPAC Name1-(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
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c(c4)oc4ccccc45)c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c3[2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C51H34N4O/c1-5-16-35(17-6-1)39-22-15-23-40(32-39)36-28-30-42(31-29-36)55(41-24-11-4-12-25-41)43-33-45(48-44-26-13-14-27-46(44)56-47(48)34-43)51-53-49(37-18-7-2-8-19-37)52-50(54-51)38-20-9-3-10-21-38/h1-34H/i1D,4D,5D,6D,11D,12D,15D,16D,17D,22D,23D,24D,25D,28D,29D,30D,31D,32D
InChIKeyWLEGHFXUMBKGHU-LQYHKHTGSA-N
XLogP13.58
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.97
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,4,6-tetradeuterio-5-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 176853976
1,2,4,6,7,8-hexadeuterio-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine
CID 171597010
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
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
1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 176853518
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 176853817
1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170253213
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775174
2-(4-dibenzofuran-1-ylphenyl)-4-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 176767408
1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine
CID 166974607
2-(3-dibenzofuran-1-ylphenyl)-4-[2,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 176767393
2-dibenzofuran-3-yl-4-[1,2,4,6,7,8-hexadeuterio-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 177107200

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c(c4)oc4ccccc45)c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c3[2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is WLEGHFXUMBKGHU-LQYHKHTGSA-N. The full InChI is InChI=1S/C51H34N4O/c1-5-16-35(17-6-1)39-22-15-23-40(32-39)36-28-30-42(31-29-36)55(41-24-11-4-12-25-41)43-33-45(48-44-26-13-14-27-46(44)56-47(48)34-43)51-53-49(37-18-7-2-8-19-37)52-50(54-51)38-20-9-3-10-21-38/h1-34H/i1D,4D,5D,6D,11D,12D,15D,16D,17D,22D,23D,24D,25D,28D,29D,30D,31D,32D.
What are the key properties of 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?
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 has a molecular weight of 736.97 g/mol, XLogP of 13.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176854016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).