6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine

C28H40N2 — CID 87911478

IUPAC6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine
SMILESCCCCC(=N\c1ccccc1)/C(CCCC)=N/c1cc(CCC)cc(CCC)c1
InChIInChI=1S/C28H40N2/c1-5-9-18-27(29-25-16-12-11-13-17-25)28(19-10-6-2)30-26-21-23(14-7-3)20-24(22-26)15-8-4/h11-13,16-17,20-22H,5-10,14-15,18-19H2,1-4H3/b29-27+,30-28+
InChIKeyLIOFGMKAHZOMBQ-QAVVBOBSSA-N
MW404.64 g/mol
LogP8.82
Rot. Bonds13

About 6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine

6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine (PubChem CID 87911478) has the molecular formula C28H40N2 and a molecular weight of 404.64 g/mol. Its IUPAC name is 6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine.

Molecular Properties

Compound Name6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine
PubChem CID87911478
Molecular FormulaC28H40N2
Molecular Weight404.64 g/mol
Exact Mass404.32
IUPAC Name6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine
SMILESCCCCC(=N\c1ccccc1)/C(CCCC)=N/c1cc(CCC)cc(CCC)c1
InChIInChI=1S/C28H40N2/c1-5-9-18-27(29-25-16-12-11-13-17-25)28(19-10-6-2)30-26-21-23(14-7-3)20-24(22-26)15-8-4/h11-13,16-17,20-22H,5-10,14-15,18-19H2,1-4H3/b29-27+,30-28+
InChIKeyLIOFGMKAHZOMBQ-QAVVBOBSSA-N
XLogP8.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-N,6-N-bis(3,5-dipropylphenyl)decane-5,6-diimine;palladium
CID 87876553
5-N,6-N-bis(3,5-dibutylphenyl)decane-5,6-diimine;nickel
CID 87875762
5-N,6-N-bis(3,5-dipentylphenyl)undecane-5,6-diimine
CID 21033594
5-N,6-N-diphenylpentadecane-5,6-diimine;palladium
CID 87874969
6-N,7-N-diphenyldodecane-6,7-diimine;palladium
CID 87874738
3-N,4-N-bis(3,5-dipentylphenyl)octane-3,4-diimine
CID 21033571
5-N,6-N-bis(3,5-dibutylphenyl)dodecane-5,6-diimine;palladium
CID 87912205
9-N,10-N-bis(3,5-dibutylphenyl)octadecane-9,10-diimine
CID 21033461
7-N,8-N-diphenyltetradecane-7,8-diimine;nickel
CID 87874780
6-N,7-N-bis(3,5-dipentylphenyl)tridecane-6,7-diimine;nickel
CID 87876162
9-N,10-N-bis(3,5-dipentylphenyl)octadecane-9,10-diimine;nickel
CID 87912252
6-N,7-N-bis(3,5-dipentylphenyl)dotriacontane-6,7-diimine;nickel
CID 87912378

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine?
The IUPAC name of 6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine (CID 87911478) is 6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine.
What is the SMILES notation for 6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine?
The canonical SMILES for 6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine is CCCCC(=N\c1ccccc1)/C(CCCC)=N/c1cc(CCC)cc(CCC)c1.
What is the InChIKey of 6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine?
The InChIKey is LIOFGMKAHZOMBQ-QAVVBOBSSA-N. The full InChI is InChI=1S/C28H40N2/c1-5-9-18-27(29-25-16-12-11-13-17-25)28(19-10-6-2)30-26-21-23(14-7-3)20-24(22-26)15-8-4/h11-13,16-17,20-22H,5-10,14-15,18-19H2,1-4H3/b29-27+,30-28+.
What are the key properties of 6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine?
6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine has a molecular weight of 404.64 g/mol, XLogP of 8.82, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine is sourced from PubChem (CID 87911478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).