N-[[4-[N-[[4-[N-[[4-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-1-(4-ethoxyphenyl)-1-phenylmethanimine

C63H51ClN4O4 — CID 123709984

IUPACN-[[4-[N-[[4-[N-[[4-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-1-(4-ethoxyphenyl)-1-phenylmethanimine
SMILESCCOc1ccc(C(=NCOc2ccc(C(=NCOc3ccc(C(=NCOc4ccc(/C(=N/c5ccc(Cl)cc5)c5ccccc5)cc4)c4ccccc4)cc3)c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C63H51ClN4O4/c1-2-69-56-35-23-50(24-36-56)60(46-15-7-3-8-16-46)65-43-70-57-37-25-51(26-38-57)61(47-17-9-4-10-18-47)66-44-71-58-39-27-52(28-40-58)62(48-19-11-5-12-20-48)67-45-72-59-41-29-53(30-42-59)63(49-21-13-6-14-22-49)68-55-33-31-54(64)32-34-55/h3-42H,2,43-45H2,1H3/b65-60?,66-61?,67-62?,68-63+
InChIKeyHMGPHZXGMXITCP-MAXUNKRQSA-N
MW963.58 g/mol
LogP14.53
Rot. Bonds20

About N-[[4-[N-[[4-[N-[[4-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-1-(4-ethoxyphenyl)-1-phenylmethanimine

N-[[4-[N-[[4-[N-[[4-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-1-(4-ethoxyphenyl)-1-phenylmethanimine (PubChem CID 123709984) has the molecular formula C63H51ClN4O4 and a molecular weight of 963.58 g/mol. Its IUPAC name is N-[[4-[N-[[4-[N-[[4-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-1-(4-ethoxyphenyl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-[[4-[N-[[4-[N-[[4-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-1-(4-ethoxyphenyl)-1-phenylmethanimine
PubChem CID123709984
Molecular FormulaC63H51ClN4O4
Molecular Weight963.58 g/mol
Exact Mass962.36
IUPAC NameN-[[4-[N-[[4-[N-[[4-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-1-(4-ethoxyphenyl)-1-phenylmethanimine
SMILESCCOc1ccc(C(=NCOc2ccc(C(=NCOc3ccc(C(=NCOc4ccc(/C(=N/c5ccc(Cl)cc5)c5ccccc5)cc4)c4ccccc4)cc3)c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C63H51ClN4O4/c1-2-69-56-35-23-50(24-36-56)60(46-15-7-3-8-16-46)65-43-70-57-37-25-51(26-38-57)61(47-17-9-4-10-18-47)66-44-71-58-39-27-52(28-40-58)62(48-19-11-5-12-20-48)67-45-72-59-41-29-53(30-42-59)63(49-21-13-6-14-22-49)68-55-33-31-54(64)32-34-55/h3-42H,2,43-45H2,1H3/b65-60?,66-61?,67-62?,68-63+
InChIKeyHMGPHZXGMXITCP-MAXUNKRQSA-N
XLogP14.53
TPSA86.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.58
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[[4-[N-[[4-[N-[[4-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-1-(4-ethoxyphenyl)-1-phenylmethanimine with MolForge

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Related Compounds

1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline
CID 56850221
4-[C-[4-[2-(methylamino)ethoxy]phenyl]-N-phenylcarbonimidoyl]phenol
CID 154975242
2-(4-chlorophenoxy)ethyl N'-(4-ethoxyphenyl)carbamimidothioate
CID 8775293
2-(4-ethoxyphenyl)-1,1,3,3-tetramethylguanidine
CID 525247
ethoxybenzene chloride
CID 21193593
1-chloro-4-[1-(4-ethoxyphenyl)-2-phenylbutyl]benzene
CID 18518445
methyl N-benzoyl-N'-(4-ethoxyphenyl)carbamimidothioate
CID 135408938
(Z)-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methylidene]hydrazine
CID 134121607
1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine
CID 29671
benzamide;1,4-diethoxybenzene
CID 162120306
2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
CID 105122407

Frequently Asked Questions

What is the IUPAC name of N-[[4-[N-[[4-[N-[[4-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-1-(4-ethoxyphenyl)-1-phenylmethanimine?
The IUPAC name of N-[[4-[N-[[4-[N-[[4-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-1-(4-ethoxyphenyl)-1-phenylmethanimine (CID 123709984) is N-[[4-[N-[[4-[N-[[4-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-1-(4-ethoxyphenyl)-1-phenylmethanimine.
What is the SMILES notation for N-[[4-[N-[[4-[N-[[4-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-1-(4-ethoxyphenyl)-1-phenylmethanimine?
The canonical SMILES for N-[[4-[N-[[4-[N-[[4-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-1-(4-ethoxyphenyl)-1-phenylmethanimine is CCOc1ccc(C(=NCOc2ccc(C(=NCOc3ccc(C(=NCOc4ccc(/C(=N/c5ccc(Cl)cc5)c5ccccc5)cc4)c4ccccc4)cc3)c3ccccc3)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[[4-[N-[[4-[N-[[4-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-1-(4-ethoxyphenyl)-1-phenylmethanimine?
The InChIKey is HMGPHZXGMXITCP-MAXUNKRQSA-N. The full InChI is InChI=1S/C63H51ClN4O4/c1-2-69-56-35-23-50(24-36-56)60(46-15-7-3-8-16-46)65-43-70-57-37-25-51(26-38-57)61(47-17-9-4-10-18-47)66-44-71-58-39-27-52(28-40-58)62(48-19-11-5-12-20-48)67-45-72-59-41-29-53(30-42-59)63(49-21-13-6-14-22-49)68-55-33-31-54(64)32-34-55/h3-42H,2,43-45H2,1H3/b65-60?,66-61?,67-62?,68-63+.
What are the key properties of N-[[4-[N-[[4-[N-[[4-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-1-(4-ethoxyphenyl)-1-phenylmethanimine?
N-[[4-[N-[[4-[N-[[4-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-1-(4-ethoxyphenyl)-1-phenylmethanimine has a molecular weight of 963.58 g/mol, XLogP of 14.53, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[N-[[4-[N-[[4-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-1-(4-ethoxyphenyl)-1-phenylmethanimine is sourced from PubChem (CID 123709984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).