N-(3-fluoro-4-methylphenyl)-1-[6-[N-[4-[1-[6-[N-(3-fluoro-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-2,3,5,6-tetramethylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine

C42H42F2N6 — CID 20750722

IUPACN-(3-fluoro-4-methylphenyl)-1-[6-[N-[4-[1-[6-[N-(3-fluoro-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-2,3,5,6-tetramethylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
SMILESC/C(=N\c1ccc(C)c(F)c1)c1cccc(/C(C)=N/c2c(C)c(C)c(/N=C(\C)c3cccc(/C(C)=N/c4ccc(C)c(F)c4)n3)c(C)c2C)n1
InChIInChI=1S/C42H42F2N6/c1-23-17-19-33(21-35(23)43)45-29(7)37-13-11-15-39(49-37)31(9)47-41-25(3)27(5)42(28(6)26(41)4)48-32(10)40-16-12-14-38(50-40)30(8)46-34-20-18-24(2)36(44)22-34/h11-22H,1-10H3/b45-29+,46-30+,47-31+,48-32+
InChIKeyFHHNTCJOGOMIBP-XKFDIAGISA-N
MW668.84 g/mol
LogP11.17
Rot. Bonds8

About N-(3-fluoro-4-methylphenyl)-1-[6-[N-[4-[1-[6-[N-(3-fluoro-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-2,3,5,6-tetramethylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine

N-(3-fluoro-4-methylphenyl)-1-[6-[N-[4-[1-[6-[N-(3-fluoro-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-2,3,5,6-tetramethylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine (PubChem CID 20750722) has the molecular formula C42H42F2N6 and a molecular weight of 668.84 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1-[6-[N-[4-[1-[6-[N-(3-fluoro-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-2,3,5,6-tetramethylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1-[6-[N-[4-[1-[6-[N-(3-fluoro-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-2,3,5,6-tetramethylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
PubChem CID20750722
Molecular FormulaC42H42F2N6
Molecular Weight668.84 g/mol
Exact Mass668.34
IUPAC NameN-(3-fluoro-4-methylphenyl)-1-[6-[N-[4-[1-[6-[N-(3-fluoro-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-2,3,5,6-tetramethylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
SMILESC/C(=N\c1ccc(C)c(F)c1)c1cccc(/C(C)=N/c2c(C)c(C)c(/N=C(\C)c3cccc(/C(C)=N/c4ccc(C)c(F)c4)n3)c(C)c2C)n1
InChIInChI=1S/C42H42F2N6/c1-23-17-19-33(21-35(23)43)45-29(7)37-13-11-15-39(49-37)31(9)47-41-25(3)27(5)42(28(6)26(41)4)48-32(10)40-16-12-14-38(50-40)30(8)46-34-20-18-24(2)36(44)22-34/h11-22H,1-10H3/b45-29+,46-30+,47-31+,48-32+
InChIKeyFHHNTCJOGOMIBP-XKFDIAGISA-N
XLogP11.17
TPSA75.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.84
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-fluoro-4-methylphenyl)-1-[6-[N-[4-[1-[6-[N-(3-fluoro-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-2,3,5,6-tetramethylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-1-[6-[N-[4-[1-[6-[N-(3-fluoro-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-2,3,5,6-tetramethylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1-[6-[N-[4-[1-[6-[N-(3-fluoro-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-2,3,5,6-tetramethylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine (CID 20750722) is N-(3-fluoro-4-methylphenyl)-1-[6-[N-[4-[1-[6-[N-(3-fluoro-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-2,3,5,6-tetramethylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1-[6-[N-[4-[1-[6-[N-(3-fluoro-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-2,3,5,6-tetramethylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1-[6-[N-[4-[1-[6-[N-(3-fluoro-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-2,3,5,6-tetramethylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine is C/C(=N\c1ccc(C)c(F)c1)c1cccc(/C(C)=N/c2c(C)c(C)c(/N=C(\C)c3cccc(/C(C)=N/c4ccc(C)c(F)c4)n3)c(C)c2C)n1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1-[6-[N-[4-[1-[6-[N-(3-fluoro-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-2,3,5,6-tetramethylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
The InChIKey is FHHNTCJOGOMIBP-XKFDIAGISA-N. The full InChI is InChI=1S/C42H42F2N6/c1-23-17-19-33(21-35(23)43)45-29(7)37-13-11-15-39(49-37)31(9)47-41-25(3)27(5)42(28(6)26(41)4)48-32(10)40-16-12-14-38(50-40)30(8)46-34-20-18-24(2)36(44)22-34/h11-22H,1-10H3/b45-29+,46-30+,47-31+,48-32+.
What are the key properties of N-(3-fluoro-4-methylphenyl)-1-[6-[N-[4-[1-[6-[N-(3-fluoro-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-2,3,5,6-tetramethylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
N-(3-fluoro-4-methylphenyl)-1-[6-[N-[4-[1-[6-[N-(3-fluoro-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-2,3,5,6-tetramethylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine has a molecular weight of 668.84 g/mol, XLogP of 11.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1-[6-[N-[4-[1-[6-[N-(3-fluoro-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-2,3,5,6-tetramethylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine is sourced from PubChem (CID 20750722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).