N-[(E)-3-(4-tert-butylphenyl)-3-phenylprop-1-enyl]-1,1-diphenylmethanimine

C32H31N — CID 132538765

IUPACN-[(E)-3-(4-tert-butylphenyl)-3-phenylprop-1-enyl]-1,1-diphenylmethanimine
SMILESCC(C)(C)c1ccc(C(/C=C/N=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H31N/c1-32(2,3)29-21-19-26(20-22-29)30(25-13-7-4-8-14-25)23-24-33-31(27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-24,30H,1-3H3/b24-23+
InChIKeyBDXFGYBCCLXMEJ-WCWDXBQESA-N
MW429.61 g/mol
LogP8.17
Rot. Bonds6

About N-[(E)-3-(4-tert-butylphenyl)-3-phenylprop-1-enyl]-1,1-diphenylmethanimine

N-[(E)-3-(4-tert-butylphenyl)-3-phenylprop-1-enyl]-1,1-diphenylmethanimine (PubChem CID 132538765) has the molecular formula C32H31N and a molecular weight of 429.61 g/mol. Its IUPAC name is N-[(E)-3-(4-tert-butylphenyl)-3-phenylprop-1-enyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[(E)-3-(4-tert-butylphenyl)-3-phenylprop-1-enyl]-1,1-diphenylmethanimine
PubChem CID132538765
Molecular FormulaC32H31N
Molecular Weight429.61 g/mol
Exact Mass429.25
IUPAC NameN-[(E)-3-(4-tert-butylphenyl)-3-phenylprop-1-enyl]-1,1-diphenylmethanimine
SMILESCC(C)(C)c1ccc(C(/C=C/N=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H31N/c1-32(2,3)29-21-19-26(20-22-29)30(25-13-7-4-8-14-25)23-24-33-31(27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-24,30H,1-3H3/b24-23+
InChIKeyBDXFGYBCCLXMEJ-WCWDXBQESA-N
XLogP8.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.61
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3,3-diphenylprop-1-enyl]-1,1-diphenylmethanimine
CID 132538764
1,4-bis(4-tert-butylphenyl)-2,3-diphenylbutane-1,4-dione
CID 102447395
2,2-bis(4-tert-butylphenyl)acetaldehyde
CID 19958795
1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine
CID 102082770
methyl 3-(benzhydrylideneamino)-3-(4-tert-butylphenyl)propanoate
CID 164888029
(1R)-1-(4-tert-butylphenyl)ethanol
CID 6990572
2-[1-(4-tert-butylphenyl)propyl]phenol
CID 174617278
2-(4-tert-butylphenyl)-2-phenylacetonitrile
CID 11414012
(2R)-2-(benzhydrylideneamino)-3-(4-tert-butylphenyl)propanoic acid
CID 102180330
4-tert-butyl-N-(2-phenylpropylideneamino)benzamide
CID 4694795
N-tert-butyl-1,1-diphenylmethan(15N)imine
CID 170780662
2-(4-tert-butylphenyl)-3-phenylbutan-1-amine
CID 82140242

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(4-tert-butylphenyl)-3-phenylprop-1-enyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[(E)-3-(4-tert-butylphenyl)-3-phenylprop-1-enyl]-1,1-diphenylmethanimine (CID 132538765) is N-[(E)-3-(4-tert-butylphenyl)-3-phenylprop-1-enyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[(E)-3-(4-tert-butylphenyl)-3-phenylprop-1-enyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[(E)-3-(4-tert-butylphenyl)-3-phenylprop-1-enyl]-1,1-diphenylmethanimine is CC(C)(C)c1ccc(C(/C=C/N=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-3-(4-tert-butylphenyl)-3-phenylprop-1-enyl]-1,1-diphenylmethanimine?
The InChIKey is BDXFGYBCCLXMEJ-WCWDXBQESA-N. The full InChI is InChI=1S/C32H31N/c1-32(2,3)29-21-19-26(20-22-29)30(25-13-7-4-8-14-25)23-24-33-31(27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-24,30H,1-3H3/b24-23+.
What are the key properties of N-[(E)-3-(4-tert-butylphenyl)-3-phenylprop-1-enyl]-1,1-diphenylmethanimine?
N-[(E)-3-(4-tert-butylphenyl)-3-phenylprop-1-enyl]-1,1-diphenylmethanimine has a molecular weight of 429.61 g/mol, XLogP of 8.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-tert-butylphenyl)-3-phenylprop-1-enyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 132538765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).