N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-2,6-di(propan-2-yl)aniline

C29H36F6N2 — CID 12074470

IUPACN-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-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)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C29H36F6N2/c1-16(2)20-11-9-12-21(17(3)4)26(20)36-24(28(30,31)32)15-25(29(33,34)35)37-27-22(18(5)6)13-10-14-23(27)19(7)8/h9-19,36H,1-8H3/b24-15-,37-25-
InChIKeyJWCXATSVJRZNEL-JAHOJVMCSA-N
MW526.61 g/mol
LogP10.37
Rot. Bonds8

About N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-2,6-di(propan-2-yl)aniline

N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-2,6-di(propan-2-yl)aniline (PubChem CID 12074470) has the molecular formula C29H36F6N2 and a molecular weight of 526.61 g/mol. Its IUPAC name is N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-2,6-di(propan-2-yl)aniline
PubChem CID12074470
Molecular FormulaC29H36F6N2
Molecular Weight526.61 g/mol
Exact Mass526.28
IUPAC NameN-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-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)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C29H36F6N2/c1-16(2)20-11-9-12-21(17(3)4)26(20)36-24(28(30,31)32)15-25(29(33,34)35)37-27-22(18(5)6)13-10-14-23(27)19(7)8/h9-19,36H,1-8H3/b24-15-,37-25-
InChIKeyJWCXATSVJRZNEL-JAHOJVMCSA-N
XLogP10.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.61
LogP ≤ 510.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-2,6-di(propan-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]-2,6-di(propan-2-yl)aniline
CID 72959562
copper;copper(1+);bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);nitrite
CID 139187258
benzene;copper(1+);[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]azanide
CID 162414801
3-[2,6-di(propan-2-yl)anilino]-3-[2,6-di(propan-2-yl)phenyl]imino-2-methylpropanoic acid
CID 91068958
N-[(E)-3-chloro-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 139133966
N-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 139113697
2,6-di(propan-2-yl)-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline
CID 139985829
[2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide
CID 177489301
N-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline
CID 20771836
1-N,4-N-bis[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]benzene-1,4-diamine
CID 162408249
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline
CID 101126797

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-2,6-di(propan-2-yl)aniline (CID 12074470) is N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-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)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-2,6-di(propan-2-yl)aniline?
The InChIKey is JWCXATSVJRZNEL-JAHOJVMCSA-N. The full InChI is InChI=1S/C29H36F6N2/c1-16(2)20-11-9-12-21(17(3)4)26(20)36-24(28(30,31)32)15-25(29(33,34)35)37-27-22(18(5)6)13-10-14-23(27)19(7)8/h9-19,36H,1-8H3/b24-15-,37-25-.
What are the key properties of N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-2,6-di(propan-2-yl)aniline?
N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-2,6-di(propan-2-yl)aniline has a molecular weight of 526.61 g/mol, XLogP of 10.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 12074470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).