1-[4-(2,5-dihexylphenyl)phenyl]-N-phenylmethanimine

C31H39N — CID 101410625

IUPAC1-[4-(2,5-dihexylphenyl)phenyl]-N-phenylmethanimine
SMILESCCCCCCc1ccc(CCCCCC)c(-c2ccc(/C=N/c3ccccc3)cc2)c1
InChIInChI=1S/C31H39N/c1-3-5-7-10-14-26-18-21-28(15-11-8-6-4-2)31(24-26)29-22-19-27(20-23-29)25-32-30-16-12-9-13-17-30/h9,12-13,16-25H,3-8,10-11,14-15H2,1-2H3/b32-25+
InChIKeyZHVFBMMXLNPKAX-WGPBWIAQSA-N
MW425.66 g/mol
LogP9.35
Rot. Bonds13

About 1-[4-(2,5-dihexylphenyl)phenyl]-N-phenylmethanimine

1-[4-(2,5-dihexylphenyl)phenyl]-N-phenylmethanimine (PubChem CID 101410625) has the molecular formula C31H39N and a molecular weight of 425.66 g/mol. Its IUPAC name is 1-[4-(2,5-dihexylphenyl)phenyl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[4-(2,5-dihexylphenyl)phenyl]-N-phenylmethanimine
PubChem CID101410625
Molecular FormulaC31H39N
Molecular Weight425.66 g/mol
Exact Mass425.31
IUPAC Name1-[4-(2,5-dihexylphenyl)phenyl]-N-phenylmethanimine
SMILESCCCCCCc1ccc(CCCCCC)c(-c2ccc(/C=N/c3ccccc3)cc2)c1
InChIInChI=1S/C31H39N/c1-3-5-7-10-14-26-18-21-28(15-11-8-6-4-2)31(24-26)29-22-19-27(20-23-29)25-32-30-16-12-9-13-17-30/h9,12-13,16-25H,3-8,10-11,14-15H2,1-2H3/b32-25+
InChIKeyZHVFBMMXLNPKAX-WGPBWIAQSA-N
XLogP9.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.66
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 141240736
2,7-bis[4-[(4-pentylphenyl)iminomethyl]phenyl]cyclohepta-2,4,6-trien-1-one
CID 122374779
1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
CID 71385175
1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine
CID 143730274
4-[(4-decylphenyl)iminomethyl]benzonitrile
CID 21396735
1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine
CID 4065401
1-(4-pentoxyphenyl)-N-[4-[8-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]octyl]phenyl]methanimine
CID 101084662
N-(4-butylphenyl)-1-(4-phenoxyphenyl)methanimine
CID 71367718
N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine
CID 101243686
1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine
CID 2753464
1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine
CID 86093718
3-(2,5-dioctylphenyl)thiophene
CID 91605577

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dihexylphenyl)phenyl]-N-phenylmethanimine?
The IUPAC name of 1-[4-(2,5-dihexylphenyl)phenyl]-N-phenylmethanimine (CID 101410625) is 1-[4-(2,5-dihexylphenyl)phenyl]-N-phenylmethanimine.
What is the SMILES notation for 1-[4-(2,5-dihexylphenyl)phenyl]-N-phenylmethanimine?
The canonical SMILES for 1-[4-(2,5-dihexylphenyl)phenyl]-N-phenylmethanimine is CCCCCCc1ccc(CCCCCC)c(-c2ccc(/C=N/c3ccccc3)cc2)c1.
What is the InChIKey of 1-[4-(2,5-dihexylphenyl)phenyl]-N-phenylmethanimine?
The InChIKey is ZHVFBMMXLNPKAX-WGPBWIAQSA-N. The full InChI is InChI=1S/C31H39N/c1-3-5-7-10-14-26-18-21-28(15-11-8-6-4-2)31(24-26)29-22-19-27(20-23-29)25-32-30-16-12-9-13-17-30/h9,12-13,16-25H,3-8,10-11,14-15H2,1-2H3/b32-25+.
What are the key properties of 1-[4-(2,5-dihexylphenyl)phenyl]-N-phenylmethanimine?
1-[4-(2,5-dihexylphenyl)phenyl]-N-phenylmethanimine has a molecular weight of 425.66 g/mol, XLogP of 9.35, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dihexylphenyl)phenyl]-N-phenylmethanimine is sourced from PubChem (CID 101410625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).