N-[2-[diphenyl-[2-(1-pyridin-2-ylethylideneamino)phenyl]sulfanylsilyl]sulfanylphenyl]-1-pyridin-2-ylethanimine

C38H32N4S2Si — CID 10100620

IUPACN-[2-[diphenyl-[2-(1-pyridin-2-ylethylideneamino)phenyl]sulfanylsilyl]sulfanylphenyl]-1-pyridin-2-ylethanimine
SMILESC/C(=N\c1ccccc1S[Si](Sc1ccccc1/N=C(\C)c1ccccn1)(c1ccccc1)c1ccccc1)c1ccccn1
InChIInChI=1S/C38H32N4S2Si/c1-29(33-21-13-15-27-39-33)41-35-23-9-11-25-37(35)43-45(31-17-5-3-6-18-31,32-19-7-4-8-20-32)44-38-26-12-10-24-36(38)42-30(2)34-22-14-16-28-40-34/h3-28H,1-2H3/b41-29+,42-30+
InChIKeyXTUJVVHFMIYUKL-ZOZONKMWSA-N
MW636.92 g/mol
LogP8.90
Rot. Bonds10

About N-[2-[diphenyl-[2-(1-pyridin-2-ylethylideneamino)phenyl]sulfanylsilyl]sulfanylphenyl]-1-pyridin-2-ylethanimine

N-[2-[diphenyl-[2-(1-pyridin-2-ylethylideneamino)phenyl]sulfanylsilyl]sulfanylphenyl]-1-pyridin-2-ylethanimine (PubChem CID 10100620) has the molecular formula C38H32N4S2Si and a molecular weight of 636.92 g/mol. Its IUPAC name is N-[2-[diphenyl-[2-(1-pyridin-2-ylethylideneamino)phenyl]sulfanylsilyl]sulfanylphenyl]-1-pyridin-2-ylethanimine.

Molecular Properties

Compound NameN-[2-[diphenyl-[2-(1-pyridin-2-ylethylideneamino)phenyl]sulfanylsilyl]sulfanylphenyl]-1-pyridin-2-ylethanimine
PubChem CID10100620
Molecular FormulaC38H32N4S2Si
Molecular Weight636.92 g/mol
Exact Mass636.18
IUPAC NameN-[2-[diphenyl-[2-(1-pyridin-2-ylethylideneamino)phenyl]sulfanylsilyl]sulfanylphenyl]-1-pyridin-2-ylethanimine
SMILESC/C(=N\c1ccccc1S[Si](Sc1ccccc1/N=C(\C)c1ccccn1)(c1ccccc1)c1ccccc1)c1ccccn1
InChIInChI=1S/C38H32N4S2Si/c1-29(33-21-13-15-27-39-33)41-35-23-9-11-25-37(35)43-45(31-17-5-3-6-18-31,32-19-7-4-8-20-32)44-38-26-12-10-24-36(38)42-30(2)34-22-14-16-28-40-34/h3-28H,1-2H3/b41-29+,42-30+
InChIKeyXTUJVVHFMIYUKL-ZOZONKMWSA-N
XLogP8.90
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.92
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1-pyridin-2-ylethylideneamino)benzenethiol
CID 135426936
palladium(2+);bis(2-(1-pyridin-2-ylethylideneamino)benzenethiolate)
CID 10650522
dichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine
CID 153313891
N-(4-chlorophenyl)-1-pyridin-2-ylethanimine
CID 15815211
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine
CID 14907728
N-(2,6-dibromophenyl)-1-pyridin-2-ylethanimine
CID 141267824
[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769
N-methoxy-1-pyridin-2-ylethanimine
CID 87078601
N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylethanimine
CID 118868171
N-(2,6-diethylphenyl)-1-pyridin-2-ylethanimine;nickel(2+)
CID 158562372
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471

Frequently Asked Questions

What is the IUPAC name of N-[2-[diphenyl-[2-(1-pyridin-2-ylethylideneamino)phenyl]sulfanylsilyl]sulfanylphenyl]-1-pyridin-2-ylethanimine?
The IUPAC name of N-[2-[diphenyl-[2-(1-pyridin-2-ylethylideneamino)phenyl]sulfanylsilyl]sulfanylphenyl]-1-pyridin-2-ylethanimine (CID 10100620) is N-[2-[diphenyl-[2-(1-pyridin-2-ylethylideneamino)phenyl]sulfanylsilyl]sulfanylphenyl]-1-pyridin-2-ylethanimine.
What is the SMILES notation for N-[2-[diphenyl-[2-(1-pyridin-2-ylethylideneamino)phenyl]sulfanylsilyl]sulfanylphenyl]-1-pyridin-2-ylethanimine?
The canonical SMILES for N-[2-[diphenyl-[2-(1-pyridin-2-ylethylideneamino)phenyl]sulfanylsilyl]sulfanylphenyl]-1-pyridin-2-ylethanimine is C/C(=N\c1ccccc1S[Si](Sc1ccccc1/N=C(\C)c1ccccn1)(c1ccccc1)c1ccccc1)c1ccccn1.
What is the InChIKey of N-[2-[diphenyl-[2-(1-pyridin-2-ylethylideneamino)phenyl]sulfanylsilyl]sulfanylphenyl]-1-pyridin-2-ylethanimine?
The InChIKey is XTUJVVHFMIYUKL-ZOZONKMWSA-N. The full InChI is InChI=1S/C38H32N4S2Si/c1-29(33-21-13-15-27-39-33)41-35-23-9-11-25-37(35)43-45(31-17-5-3-6-18-31,32-19-7-4-8-20-32)44-38-26-12-10-24-36(38)42-30(2)34-22-14-16-28-40-34/h3-28H,1-2H3/b41-29+,42-30+.
What are the key properties of N-[2-[diphenyl-[2-(1-pyridin-2-ylethylideneamino)phenyl]sulfanylsilyl]sulfanylphenyl]-1-pyridin-2-ylethanimine?
N-[2-[diphenyl-[2-(1-pyridin-2-ylethylideneamino)phenyl]sulfanylsilyl]sulfanylphenyl]-1-pyridin-2-ylethanimine has a molecular weight of 636.92 g/mol, XLogP of 8.90, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[diphenyl-[2-(1-pyridin-2-ylethylideneamino)phenyl]sulfanylsilyl]sulfanylphenyl]-1-pyridin-2-ylethanimine is sourced from PubChem (CID 10100620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).