2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine;N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-3-(pyridin-2-ylmethyl)pent-2-en-2-yl]-2,6-di(propan-2-yl)aniline

C70H94N6 — CID 158633874

IUPAC2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine;N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-3-(pyridin-2-ylmethyl)pent-2-en-2-yl]-2,6-di(propan-2-yl)aniline
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)C(Cc1ccccn1)/C(C)=N/c1c(C(C)C)cccc1C(C)C.C/C(Nc1c(C(C)C)cccc1C(C)C)=C(Cc1ccccn1)/C(C)=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/2C35H47N3/c2*1-22(2)29-16-13-17-30(23(3)4)34(29)37-26(9)33(21-28-15-11-12-20-36-28)27(10)38-35-31(24(5)6)18-14-19-32(35)25(7)8/h11-20,22-25,37H,21H2,1-10H3;11-20,22-25,33H,21H2,1-10H3/b33-26-,38-27+;37-26+,38-27+
InChIKeyHZNGYELZYWNUPV-XFBRCHGLSA-N
MW1019.56 g/mol
LogP20.62
Rot. Bonds20

About 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine;N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-3-(pyridin-2-ylmethyl)pent-2-en-2-yl]-2,6-di(propan-2-yl)aniline

2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine;N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-3-(pyridin-2-ylmethyl)pent-2-en-2-yl]-2,6-di(propan-2-yl)aniline (PubChem CID 158633874) has the molecular formula C70H94N6 and a molecular weight of 1019.56 g/mol. Its IUPAC name is 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine;N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-3-(pyridin-2-ylmethyl)pent-2-en-2-yl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound Name2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine;N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-3-(pyridin-2-ylmethyl)pent-2-en-2-yl]-2,6-di(propan-2-yl)aniline
PubChem CID158633874
Molecular FormulaC70H94N6
Molecular Weight1019.56 g/mol
Exact Mass1018.75
IUPAC Name2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine;N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-3-(pyridin-2-ylmethyl)pent-2-en-2-yl]-2,6-di(propan-2-yl)aniline
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)C(Cc1ccccn1)/C(C)=N/c1c(C(C)C)cccc1C(C)C.C/C(Nc1c(C(C)C)cccc1C(C)C)=C(Cc1ccccn1)/C(C)=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/2C35H47N3/c2*1-22(2)29-16-13-17-30(23(3)4)34(29)37-26(9)33(21-28-15-11-12-20-36-28)27(10)38-35-31(24(5)6)18-14-19-32(35)25(7)8/h11-20,22-25,37H,21H2,1-10H3;11-20,22-25,33H,21H2,1-10H3/b33-26-,38-27+;37-26+,38-27+
InChIKeyHZNGYELZYWNUPV-XFBRCHGLSA-N
XLogP20.62
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.56
LogP ≤ 520.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine;N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-3-(pyridin-2-ylmethyl)pent-2-en-2-yl]-2,6-di(propan-2-yl)aniline with MolForge

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Related Compounds

2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine
CID 59434234
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
3-[2,6-di(propan-2-yl)phenyl]-1,1-bis(pyridin-2-ylmethyl)urea
CID 23737954
1-[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)thiourea
CID 134113662
N-[2,6-di(propan-2-yl)phenyl]-N'-(2-pyridin-2-ylethyl)benzenecarboximidamide
CID 139174144
1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea
CID 23988043
N-[4-[2,6-di(propan-2-yl)phenyl]imino-3-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pent-2-en-2-yl]-2-propan-2-ylaniline
CID 162409250
N-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 139113697
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
N-[2,6-di(propan-2-yl)phenyl]-1-(3-pyridin-2-ylphenyl)ethanimine
CID 58238596
3-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pentane-2,4-dione
CID 102209493
2-N-(2,6-diethylphenyl)-3-N-[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;nickel
CID 87861081

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine;N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-3-(pyridin-2-ylmethyl)pent-2-en-2-yl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine;N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-3-(pyridin-2-ylmethyl)pent-2-en-2-yl]-2,6-di(propan-2-yl)aniline (CID 158633874) is 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine;N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-3-(pyridin-2-ylmethyl)pent-2-en-2-yl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine;N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-3-(pyridin-2-ylmethyl)pent-2-en-2-yl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine;N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-3-(pyridin-2-ylmethyl)pent-2-en-2-yl]-2,6-di(propan-2-yl)aniline is C/C(=N\c1c(C(C)C)cccc1C(C)C)C(Cc1ccccn1)/C(C)=N/c1c(C(C)C)cccc1C(C)C.C/C(Nc1c(C(C)C)cccc1C(C)C)=C(Cc1ccccn1)/C(C)=N/c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine;N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-3-(pyridin-2-ylmethyl)pent-2-en-2-yl]-2,6-di(propan-2-yl)aniline?
The InChIKey is HZNGYELZYWNUPV-XFBRCHGLSA-N. The full InChI is InChI=1S/2C35H47N3/c2*1-22(2)29-16-13-17-30(23(3)4)34(29)37-26(9)33(21-28-15-11-12-20-36-28)27(10)38-35-31(24(5)6)18-14-19-32(35)25(7)8/h11-20,22-25,37H,21H2,1-10H3;11-20,22-25,33H,21H2,1-10H3/b33-26-,38-27+;37-26+,38-27+.
What are the key properties of 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine;N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-3-(pyridin-2-ylmethyl)pent-2-en-2-yl]-2,6-di(propan-2-yl)aniline?
2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine;N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-3-(pyridin-2-ylmethyl)pent-2-en-2-yl]-2,6-di(propan-2-yl)aniline has a molecular weight of 1019.56 g/mol, XLogP of 20.62, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine;N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-3-(pyridin-2-ylmethyl)pent-2-en-2-yl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 158633874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).