N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine

C32H40N2 — CID 2755070

IUPACN-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1ccc(/C=N/c2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C32H40N2/c1-21(2)27-11-9-12-28(22(3)4)31(27)33-19-25-15-17-26(18-16-25)20-34-32-29(23(5)6)13-10-14-30(32)24(7)8/h9-24H,1-8H3/b33-19+,34-20+
InChIKeyDZPMXXSRJPFJID-ZXHXELASSA-N
MW452.69 g/mol
LogP9.68
Rot. Bonds8

About N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine

N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine (PubChem CID 2755070) has the molecular formula C32H40N2 and a molecular weight of 452.69 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine
PubChem CID2755070
Molecular FormulaC32H40N2
Molecular Weight452.69 g/mol
Exact Mass452.32
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1ccc(/C=N/c2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C32H40N2/c1-21(2)27-11-9-12-28(22(3)4)31(27)33-19-25-15-17-26(18-16-25)20-34-32-29(23(5)6)13-10-14-30(32)24(7)8/h9-24H,1-8H3/b33-19+,34-20+
InChIKeyDZPMXXSRJPFJID-ZXHXELASSA-N
XLogP9.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.69
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine
CID 102098000
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606
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]-1-(furan-2-yl)methanimine
CID 850160
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol
CID 135431783
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel
CID 21339155
tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc
CID 139116950
N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride
CID 173243069
carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+)
CID 147504192
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol
CID 136723302
N-[2,6-di(propan-2-yl)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanimine
CID 58933058

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine (CID 2755070) is N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine is CC(C)c1cccc(C(C)C)c1/N=C/c1ccc(/C=N/c2c(C(C)C)cccc2C(C)C)cc1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine?
The InChIKey is DZPMXXSRJPFJID-ZXHXELASSA-N. The full InChI is InChI=1S/C32H40N2/c1-21(2)27-11-9-12-28(22(3)4)31(27)33-19-25-15-17-26(18-16-25)20-34-32-29(23(5)6)13-10-14-30(32)24(7)8/h9-24H,1-8H3/b33-19+,34-20+.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine?
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine has a molecular weight of 452.69 g/mol, XLogP of 9.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine is sourced from PubChem (CID 2755070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).