1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine

C32H40N2 — CID 71385175

IUPAC1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
SMILESCCCCCCc1ccc(/C=N/c2ccc(/N=C/c3ccc(CCCCCC)cc3)cc2)cc1
InChIInChI=1S/C32H40N2/c1-3-5-7-9-11-27-13-17-29(18-14-27)25-33-31-21-23-32(24-22-31)34-26-30-19-15-28(16-20-30)12-10-8-6-4-2/h13-26H,3-12H2,1-2H3/b33-25+,34-26+
InChIKeyUVUHUOUJVIPNNU-BCEWYCLDSA-N
MW452.69 g/mol
LogP9.43
Rot. Bonds14

About 1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine

1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine (PubChem CID 71385175) has the molecular formula C32H40N2 and a molecular weight of 452.69 g/mol. Its IUPAC name is 1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine.

Molecular Properties

Compound Name1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
PubChem CID71385175
Molecular FormulaC32H40N2
Molecular Weight452.69 g/mol
Exact Mass452.32
IUPAC Name1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
SMILESCCCCCCc1ccc(/C=N/c2ccc(/N=C/c3ccc(CCCCCC)cc3)cc2)cc1
InChIInChI=1S/C32H40N2/c1-3-5-7-9-11-27-13-17-29(18-14-27)25-33-31-21-23-32(24-22-31)34-26-30-19-15-28(16-20-30)12-10-8-6-4-2/h13-26H,3-12H2,1-2H3/b33-25+,34-26+
InChIKeyUVUHUOUJVIPNNU-BCEWYCLDSA-N
XLogP9.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.69
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine
CID 143730274
4-[(4-decylphenyl)iminomethyl]benzonitrile
CID 21396735
1-(4-pentoxyphenyl)-N-[4-[8-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]octyl]phenyl]methanimine
CID 101084662
N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine
CID 101243686
1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine
CID 2753464
1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine
CID 4065401
1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine
CID 86093718
2,7-bis[4-[(4-pentylphenyl)iminomethyl]phenyl]cyclohepta-2,4,6-trien-1-one
CID 122374779
N-(4-butylphenyl)-1-(4-phenoxyphenyl)methanimine
CID 71367718
[3-[4-[(4-dodecylphenyl)iminomethyl]benzoyl]oxyphenyl] 4-[(4-dodecylphenyl)iminomethyl]benzoate
CID 100918052
4-[4-[9-[4-[(4-hexylphenyl)iminomethyl]phenoxy]nonoxy]phenyl]benzonitrile
CID 102120024
(E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 20845118

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine?
The IUPAC name of 1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine (CID 71385175) is 1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine.
What is the SMILES notation for 1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine?
The canonical SMILES for 1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine is CCCCCCc1ccc(/C=N/c2ccc(/N=C/c3ccc(CCCCCC)cc3)cc2)cc1.
What is the InChIKey of 1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine?
The InChIKey is UVUHUOUJVIPNNU-BCEWYCLDSA-N. The full InChI is InChI=1S/C32H40N2/c1-3-5-7-9-11-27-13-17-29(18-14-27)25-33-31-21-23-32(24-22-31)34-26-30-19-15-28(16-20-30)12-10-8-6-4-2/h13-26H,3-12H2,1-2H3/b33-25+,34-26+.
What are the key properties of 1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine?
1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine has a molecular weight of 452.69 g/mol, XLogP of 9.43, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine is sourced from PubChem (CID 71385175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).