4-[[6-[5-[[4-[(2,6-difluorophenyl)methyldiazenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]naphthalen-2-yl]methyldiazenyl]-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C44H38F4N14O2 — CID 123743430

IUPAC4-[[6-[5-[[4-[(2,6-difluorophenyl)methyldiazenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]naphthalen-2-yl]methyldiazenyl]-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESFc1ccc(Nc2nc(/N=N/Cc3ccc4cc(-c5cc(Nc6nc(/N=N/Cc7c(F)cccc7F)nc(N7CCOCC7)n6)ccc5F)ccc4c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C44H38F4N14O2/c45-31-8-10-32(11-9-31)51-39-53-41(57-43(55-39)61-14-18-63-19-15-61)59-49-25-27-4-5-29-23-30(7-6-28(29)22-27)34-24-33(12-13-38(34)48)52-40-54-42(58-44(56-40)62-16-20-64-21-17-62)60-50-26-35-36(46)2-1-3-37(35)47/h1-13,22-24H,14-21,25-26H2,(H,51,53,55,57)(H,52,54,56,58)/b59-49+,60-50+
InChIKeyNZCWAZVUAZIUPA-QDNXKOCVSA-N
MW870.88 g/mol
LogP9.16
Rot. Bonds13

About 4-[[6-[5-[[4-[(2,6-difluorophenyl)methyldiazenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]naphthalen-2-yl]methyldiazenyl]-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-[[6-[5-[[4-[(2,6-difluorophenyl)methyldiazenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]naphthalen-2-yl]methyldiazenyl]-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 123743430) has the molecular formula C44H38F4N14O2 and a molecular weight of 870.88 g/mol. Its IUPAC name is 4-[[6-[5-[[4-[(2,6-difluorophenyl)methyldiazenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]naphthalen-2-yl]methyldiazenyl]-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[[6-[5-[[4-[(2,6-difluorophenyl)methyldiazenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]naphthalen-2-yl]methyldiazenyl]-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID123743430
Molecular FormulaC44H38F4N14O2
Molecular Weight870.88 g/mol
Exact Mass870.32
IUPAC Name4-[[6-[5-[[4-[(2,6-difluorophenyl)methyldiazenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]naphthalen-2-yl]methyldiazenyl]-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESFc1ccc(Nc2nc(/N=N/Cc3ccc4cc(-c5cc(Nc6nc(/N=N/Cc7c(F)cccc7F)nc(N7CCOCC7)n6)ccc5F)ccc4c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C44H38F4N14O2/c45-31-8-10-32(11-9-31)51-39-53-41(57-43(55-39)61-14-18-63-19-15-61)59-49-25-27-4-5-29-23-30(7-6-28(29)22-27)34-24-33(12-13-38(34)48)52-40-54-42(58-44(56-40)62-16-20-64-21-17-62)60-50-26-35-36(46)2-1-3-37(35)47/h1-13,22-24H,14-21,25-26H2,(H,51,53,55,57)(H,52,54,56,58)/b59-49+,60-50+
InChIKeyNZCWAZVUAZIUPA-QDNXKOCVSA-N
XLogP9.16
TPSA175.78 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500870.88
LogP ≤ 59.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[[6-[5-[[4-[(2,6-difluorophenyl)methyldiazenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]naphthalen-2-yl]methyldiazenyl]-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[5-[[4-[(2,6-difluorophenyl)methyldiazenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]naphthalen-2-yl]methyldiazenyl]-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[[6-[5-[[4-[(2,6-difluorophenyl)methyldiazenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]naphthalen-2-yl]methyldiazenyl]-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 123743430) is 4-[[6-[5-[[4-[(2,6-difluorophenyl)methyldiazenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]naphthalen-2-yl]methyldiazenyl]-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[[6-[5-[[4-[(2,6-difluorophenyl)methyldiazenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]naphthalen-2-yl]methyldiazenyl]-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[[6-[5-[[4-[(2,6-difluorophenyl)methyldiazenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]naphthalen-2-yl]methyldiazenyl]-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is Fc1ccc(Nc2nc(/N=N/Cc3ccc4cc(-c5cc(Nc6nc(/N=N/Cc7c(F)cccc7F)nc(N7CCOCC7)n6)ccc5F)ccc4c3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[[6-[5-[[4-[(2,6-difluorophenyl)methyldiazenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]naphthalen-2-yl]methyldiazenyl]-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is NZCWAZVUAZIUPA-QDNXKOCVSA-N. The full InChI is InChI=1S/C44H38F4N14O2/c45-31-8-10-32(11-9-31)51-39-53-41(57-43(55-39)61-14-18-63-19-15-61)59-49-25-27-4-5-29-23-30(7-6-28(29)22-27)34-24-33(12-13-38(34)48)52-40-54-42(58-44(56-40)62-16-20-64-21-17-62)60-50-26-35-36(46)2-1-3-37(35)47/h1-13,22-24H,14-21,25-26H2,(H,51,53,55,57)(H,52,54,56,58)/b59-49+,60-50+.
What are the key properties of 4-[[6-[5-[[4-[(2,6-difluorophenyl)methyldiazenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]naphthalen-2-yl]methyldiazenyl]-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-[[6-[5-[[4-[(2,6-difluorophenyl)methyldiazenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]naphthalen-2-yl]methyldiazenyl]-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 870.88 g/mol, XLogP of 9.16, 13 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[5-[[4-[(2,6-difluorophenyl)methyldiazenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]naphthalen-2-yl]methyldiazenyl]-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 123743430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).