1-(2,3,4-tridodecoxyphenyl)-N-[4-[2-[4-[(2,3,4-tridodecoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine

C100H168N2O6 — CID 100989160

IUPAC1-(2,3,4-tridodecoxyphenyl)-N-[4-[2-[4-[(2,3,4-tridodecoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
SMILESCCCCCCCCCCCCOc1ccc(/C=N/c2ccc(CCc3ccc(/N=C/c4ccc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c4OCCCCCCCCCCCC)cc3)cc2)c(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC
InChIInChI=1S/C100H168N2O6/c1-7-13-19-25-31-37-43-49-55-61-81-103-95-79-73-91(97(105-83-63-57-51-45-39-33-27-21-15-9-3)99(95)107-85-65-59-53-47-41-35-29-23-17-11-5)87-101-93-75-69-89(70-76-93)67-68-90-71-77-94(78-72-90)102-88-92-74-80-96(104-82-62-56-50-44-38-32-26-20-14-8-2)100(108-86-66-60-54-48-42-36-30-24-18-12-6)98(92)106-84-64-58-52-46-40-34-28-22-16-10-4/h69-80,87-88H,7-68,81-86H2,1-6H3/b101-87+,102-88+
InChIKeyXCGRDLNMPMMWEA-WTMMBOGFSA-N
MW1494.45 g/mol
LogP32.77
Rot. Bonds79

About 1-(2,3,4-tridodecoxyphenyl)-N-[4-[2-[4-[(2,3,4-tridodecoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine

1-(2,3,4-tridodecoxyphenyl)-N-[4-[2-[4-[(2,3,4-tridodecoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine (PubChem CID 100989160) has the molecular formula C100H168N2O6 and a molecular weight of 1494.45 g/mol. Its IUPAC name is 1-(2,3,4-tridodecoxyphenyl)-N-[4-[2-[4-[(2,3,4-tridodecoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine.

Molecular Properties

Compound Name1-(2,3,4-tridodecoxyphenyl)-N-[4-[2-[4-[(2,3,4-tridodecoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
PubChem CID100989160
Molecular FormulaC100H168N2O6
Molecular Weight1494.45 g/mol
Exact Mass1493.29
IUPAC Name1-(2,3,4-tridodecoxyphenyl)-N-[4-[2-[4-[(2,3,4-tridodecoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
SMILESCCCCCCCCCCCCOc1ccc(/C=N/c2ccc(CCc3ccc(/N=C/c4ccc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c4OCCCCCCCCCCCC)cc3)cc2)c(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC
InChIInChI=1S/C100H168N2O6/c1-7-13-19-25-31-37-43-49-55-61-81-103-95-79-73-91(97(105-83-63-57-51-45-39-33-27-21-15-9-3)99(95)107-85-65-59-53-47-41-35-29-23-17-11-5)87-101-93-75-69-89(70-76-93)67-68-90-71-77-94(78-72-90)102-88-92-74-80-96(104-82-62-56-50-44-38-32-26-20-14-8-2)100(108-86-66-60-54-48-42-36-30-24-18-12-6)98(92)106-84-64-58-52-46-40-34-28-22-16-10-4/h69-80,87-88H,7-68,81-86H2,1-6H3/b101-87+,102-88+
InChIKeyXCGRDLNMPMMWEA-WTMMBOGFSA-N
XLogP32.77
TPSA80.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds79
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001494.45
LogP ≤ 532.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-(2,3,4-tridodecoxyphenyl)-N-[4-[2-[4-[(2,3,4-tridodecoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol
CID 4594157
2-[(4-decylphenyl)iminomethyl]-5-dodecoxyphenol
CID 136819970
1-(4-pentoxyphenyl)-N-[4-[8-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]octyl]phenyl]methanimine
CID 101084662
1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine
CID 2753464
N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine
CID 101243686
2-[(3,4,5-tridodecoxyphenyl)iminomethyl]phenol
CID 136820001
5-decoxy-2-[(3,4-didecoxyphenyl)iminomethyl]phenol
CID 136801601
N-phenyl-1-(3,4,5-trihexoxyphenyl)methanimine
CID 102392596
2-[[4-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]phenyl]iminomethyl]-5-octadecoxyphenol
CID 136722312
1-(3-methoxy-4-octoxyphenyl)-N-[4-[(3-methoxy-4-octoxyphenyl)methylideneamino]phenyl]methanimine
CID 102253343
1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
CID 71385175
2-[(4-hexoxyphenyl)iminomethyl]-5-octoxyphenol
CID 136805582

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-tridodecoxyphenyl)-N-[4-[2-[4-[(2,3,4-tridodecoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine?
The IUPAC name of 1-(2,3,4-tridodecoxyphenyl)-N-[4-[2-[4-[(2,3,4-tridodecoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine (CID 100989160) is 1-(2,3,4-tridodecoxyphenyl)-N-[4-[2-[4-[(2,3,4-tridodecoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine.
What is the SMILES notation for 1-(2,3,4-tridodecoxyphenyl)-N-[4-[2-[4-[(2,3,4-tridodecoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine?
The canonical SMILES for 1-(2,3,4-tridodecoxyphenyl)-N-[4-[2-[4-[(2,3,4-tridodecoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine is CCCCCCCCCCCCOc1ccc(/C=N/c2ccc(CCc3ccc(/N=C/c4ccc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c4OCCCCCCCCCCCC)cc3)cc2)c(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC.
What is the InChIKey of 1-(2,3,4-tridodecoxyphenyl)-N-[4-[2-[4-[(2,3,4-tridodecoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine?
The InChIKey is XCGRDLNMPMMWEA-WTMMBOGFSA-N. The full InChI is InChI=1S/C100H168N2O6/c1-7-13-19-25-31-37-43-49-55-61-81-103-95-79-73-91(97(105-83-63-57-51-45-39-33-27-21-15-9-3)99(95)107-85-65-59-53-47-41-35-29-23-17-11-5)87-101-93-75-69-89(70-76-93)67-68-90-71-77-94(78-72-90)102-88-92-74-80-96(104-82-62-56-50-44-38-32-26-20-14-8-2)100(108-86-66-60-54-48-42-36-30-24-18-12-6)98(92)106-84-64-58-52-46-40-34-28-22-16-10-4/h69-80,87-88H,7-68,81-86H2,1-6H3/b101-87+,102-88+.
What are the key properties of 1-(2,3,4-tridodecoxyphenyl)-N-[4-[2-[4-[(2,3,4-tridodecoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine?
1-(2,3,4-tridodecoxyphenyl)-N-[4-[2-[4-[(2,3,4-tridodecoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine has a molecular weight of 1494.45 g/mol, XLogP of 32.77, 79 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-tridodecoxyphenyl)-N-[4-[2-[4-[(2,3,4-tridodecoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine is sourced from PubChem (CID 100989160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).