[2-[4-[5-(azanidylidenemethylidene)indol-2-yl]-6-(3,5-dihexylthiophen-2-yl)-1,3,5-triazin-2-yl]indol-5-ylidene]methylideneazanide;2-(4-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C96H67F15N21OS2-7 — CID 158864492

IUPAC[2-[4-[5-(azanidylidenemethylidene)indol-2-yl]-6-(3,5-dihexylthiophen-2-yl)-1,3,5-triazin-2-yl]indol-5-ylidene]methylideneazanide;2-(4-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC#Cc1ccc(/C=C/c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)o1.CC#Cc1ccc(/C=C/c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1cc(CCCCCC)c(-c2nc(C3=Cc4cc(=C=[N-])ccc4=N3)nc(C3=Cc4cc(=C=[N-])ccc4=N3)n2)s1.Cc1ccc(-c2cncc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1
InChIInChI=1S/C37H35N7S.C22H11F6N5O.C22H11F6N5S.C15H10F3N4/c1-3-5-7-9-11-26-19-29(12-10-8-6-4-2)45-34(26)37-43-35(32-20-27-17-24(22-38)13-15-30(27)40-32)42-36(44-37)33-21-28-18-25(23-39)14-16-31(28)41-33;2*1-2-3-13-6-7-14(34-13)5-4-12-8-15(17-10-19(32-30-17)21(23,24)25)29-16(9-12)18-11-20(33-31-18)22(26,27)28;1-9-2-4-10(5-3-9)12-7-19-8-13(20-12)11-6-14(22-21-11)15(16,17)18/h13-21H,3-12H2,1-2H3;2*4-11H,1H3;2-8H,1H3/q3*-2;-1/b;2*5-4+;
InChIKeyJBBFPMOYZYRRRP-ZGXXQBIMSA-N
MW1879.84 g/mol
LogP20.47
Rot. Bonds23

About [2-[4-[5-(azanidylidenemethylidene)indol-2-yl]-6-(3,5-dihexylthiophen-2-yl)-1,3,5-triazin-2-yl]indol-5-ylidene]methylideneazanide;2-(4-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

[2-[4-[5-(azanidylidenemethylidene)indol-2-yl]-6-(3,5-dihexylthiophen-2-yl)-1,3,5-triazin-2-yl]indol-5-ylidene]methylideneazanide;2-(4-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 158864492) has the molecular formula C96H67F15N21OS2-7 and a molecular weight of 1879.84 g/mol. Its IUPAC name is [2-[4-[5-(azanidylidenemethylidene)indol-2-yl]-6-(3,5-dihexylthiophen-2-yl)-1,3,5-triazin-2-yl]indol-5-ylidene]methylideneazanide;2-(4-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Name[2-[4-[5-(azanidylidenemethylidene)indol-2-yl]-6-(3,5-dihexylthiophen-2-yl)-1,3,5-triazin-2-yl]indol-5-ylidene]methylideneazanide;2-(4-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID158864492
Molecular FormulaC96H67F15N21OS2-7
Molecular Weight1879.84 g/mol
Exact Mass1878.51
IUPAC Name[2-[4-[5-(azanidylidenemethylidene)indol-2-yl]-6-(3,5-dihexylthiophen-2-yl)-1,3,5-triazin-2-yl]indol-5-ylidene]methylideneazanide;2-(4-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC#Cc1ccc(/C=C/c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)o1.CC#Cc1ccc(/C=C/c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1cc(CCCCCC)c(-c2nc(C3=Cc4cc(=C=[N-])ccc4=N3)nc(C3=Cc4cc(=C=[N-])ccc4=N3)n2)s1.Cc1ccc(-c2cncc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1
InChIInChI=1S/C37H35N7S.C22H11F6N5O.C22H11F6N5S.C15H10F3N4/c1-3-5-7-9-11-26-19-29(12-10-8-6-4-2)45-34(26)37-43-35(32-20-27-17-24(22-38)13-15-30(27)40-32)42-36(44-37)33-21-28-18-25(23-39)14-16-31(28)41-33;2*1-2-3-13-6-7-14(34-13)5-4-12-8-15(17-10-19(32-30-17)21(23,24)25)29-16(9-12)18-11-20(33-31-18)22(26,27)28;1-9-2-4-10(5-3-9)12-7-19-8-13(20-12)11-6-14(22-21-11)15(16,17)18/h13-21H,3-12H2,1-2H3;2*4-11H,1H3;2-8H,1H3/q3*-2;-1/b;2*5-4+;
InChIKeyJBBFPMOYZYRRRP-ZGXXQBIMSA-N
XLogP20.47
TPSA307.64 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms135
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001879.84
LogP ≤ 520.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [2-[4-[5-(azanidylidenemethylidene)indol-2-yl]-6-(3,5-dihexylthiophen-2-yl)-1,3,5-triazin-2-yl]indol-5-ylidene]methylideneazanide;2-(4-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [2-[4-[5-(azanidylidenemethylidene)indol-2-yl]-6-(3,5-dihexylthiophen-2-yl)-1,3,5-triazin-2-yl]indol-5-ylidene]methylideneazanide;2-(4-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of [2-[4-[5-(azanidylidenemethylidene)indol-2-yl]-6-(3,5-dihexylthiophen-2-yl)-1,3,5-triazin-2-yl]indol-5-ylidene]methylideneazanide;2-(4-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 158864492) is [2-[4-[5-(azanidylidenemethylidene)indol-2-yl]-6-(3,5-dihexylthiophen-2-yl)-1,3,5-triazin-2-yl]indol-5-ylidene]methylideneazanide;2-(4-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for [2-[4-[5-(azanidylidenemethylidene)indol-2-yl]-6-(3,5-dihexylthiophen-2-yl)-1,3,5-triazin-2-yl]indol-5-ylidene]methylideneazanide;2-(4-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for [2-[4-[5-(azanidylidenemethylidene)indol-2-yl]-6-(3,5-dihexylthiophen-2-yl)-1,3,5-triazin-2-yl]indol-5-ylidene]methylideneazanide;2-(4-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CC#Cc1ccc(/C=C/c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)o1.CC#Cc1ccc(/C=C/c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1cc(CCCCCC)c(-c2nc(C3=Cc4cc(=C=[N-])ccc4=N3)nc(C3=Cc4cc(=C=[N-])ccc4=N3)n2)s1.Cc1ccc(-c2cncc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.
What is the InChIKey of [2-[4-[5-(azanidylidenemethylidene)indol-2-yl]-6-(3,5-dihexylthiophen-2-yl)-1,3,5-triazin-2-yl]indol-5-ylidene]methylideneazanide;2-(4-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is JBBFPMOYZYRRRP-ZGXXQBIMSA-N. The full InChI is InChI=1S/C37H35N7S.C22H11F6N5O.C22H11F6N5S.C15H10F3N4/c1-3-5-7-9-11-26-19-29(12-10-8-6-4-2)45-34(26)37-43-35(32-20-27-17-24(22-38)13-15-30(27)40-32)42-36(44-37)33-21-28-18-25(23-39)14-16-31(28)41-33;2*1-2-3-13-6-7-14(34-13)5-4-12-8-15(17-10-19(32-30-17)21(23,24)25)29-16(9-12)18-11-20(33-31-18)22(26,27)28;1-9-2-4-10(5-3-9)12-7-19-8-13(20-12)11-6-14(22-21-11)15(16,17)18/h13-21H,3-12H2,1-2H3;2*4-11H,1H3;2-8H,1H3/q3*-2;-1/b;2*5-4+;.
What are the key properties of [2-[4-[5-(azanidylidenemethylidene)indol-2-yl]-6-(3,5-dihexylthiophen-2-yl)-1,3,5-triazin-2-yl]indol-5-ylidene]methylideneazanide;2-(4-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
[2-[4-[5-(azanidylidenemethylidene)indol-2-yl]-6-(3,5-dihexylthiophen-2-yl)-1,3,5-triazin-2-yl]indol-5-ylidene]methylideneazanide;2-(4-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 1879.84 g/mol, XLogP of 20.47, 23 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[5-(azanidylidenemethylidene)indol-2-yl]-6-(3,5-dihexylthiophen-2-yl)-1,3,5-triazin-2-yl]indol-5-ylidene]methylideneazanide;2-(4-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 158864492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).