N-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]-2,6-di(propan-2-yl)aniline

C33H42N2 — CID 15909342

IUPACN-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1/N=C/C(=C\Nc1c(C(C)C)cccc1C(C)C)c1ccccc1
InChIInChI=1S/C33H42N2/c1-22(2)28-16-12-17-29(23(3)4)32(28)34-20-27(26-14-10-9-11-15-26)21-35-33-30(24(5)6)18-13-19-31(33)25(7)8/h9-25,34H,1-8H3/b27-20+,35-21+
InChIKeyCXZKRSHNHHNFCO-MMSCVZKOSA-N
MW466.71 g/mol
LogP10.04
Rot. Bonds9

About N-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]-2,6-di(propan-2-yl)aniline

N-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]-2,6-di(propan-2-yl)aniline (PubChem CID 15909342) has the molecular formula C33H42N2 and a molecular weight of 466.71 g/mol. Its IUPAC name is N-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]-2,6-di(propan-2-yl)aniline
PubChem CID15909342
Molecular FormulaC33H42N2
Molecular Weight466.71 g/mol
Exact Mass466.33
IUPAC NameN-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1/N=C/C(=C\Nc1c(C(C)C)cccc1C(C)C)c1ccccc1
InChIInChI=1S/C33H42N2/c1-22(2)28-16-12-17-29(23(3)4)32(28)34-20-27(26-14-10-9-11-15-26)21-35-33-30(24(5)6)18-13-19-31(33)25(7)8/h9-25,34H,1-8H3/b27-20+,35-21+
InChIKeyCXZKRSHNHHNFCO-MMSCVZKOSA-N
XLogP10.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.71
LogP ≤ 510.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2,6-di(propan-2-yl)phenyl]iminoacetate
CID 59080028
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606
potassium;[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]azanide;ethoxyethane;oxolane;yttrium(3+);dichloride
CID 139151141
N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride
CID 22596623
N-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline
CID 102155026
N-(2-phenylethenyl)-2,6-di(propan-2-yl)aniline
CID 86234862
2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline
CID 130282228
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel
CID 21339154
N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylmethanimidamide
CID 122212569
N,N'-bis(2-methyl-6-propan-2-ylphenyl)methanimidamide
CID 20660934

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]-2,6-di(propan-2-yl)aniline (CID 15909342) is N-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]-2,6-di(propan-2-yl)aniline is CC(C)c1cccc(C(C)C)c1/N=C/C(=C\Nc1c(C(C)C)cccc1C(C)C)c1ccccc1.
What is the InChIKey of N-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]-2,6-di(propan-2-yl)aniline?
The InChIKey is CXZKRSHNHHNFCO-MMSCVZKOSA-N. The full InChI is InChI=1S/C33H42N2/c1-22(2)28-16-12-17-29(23(3)4)32(28)34-20-27(26-14-10-9-11-15-26)21-35-33-30(24(5)6)18-13-19-31(33)25(7)8/h9-25,34H,1-8H3/b27-20+,35-21+.
What are the key properties of N-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]-2,6-di(propan-2-yl)aniline?
N-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 466.71 g/mol, XLogP of 10.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 15909342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).