N-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine

C29H35N3 — CID 90442397

IUPACN-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine
SMILESCc1c(C)c(C)c(/N=C/c2cccc(/C=N/c3c(C)c(C)c(C)c(C)c3C)n2)c(C)c1C
InChIInChI=1S/C29H35N3/c1-16-18(3)22(7)28(23(8)19(16)4)30-14-26-12-11-13-27(32-26)15-31-29-24(9)20(5)17(2)21(6)25(29)10/h11-15H,1-10H3/b30-14+,31-15+
InChIKeyIUUUQFCUGDGTJE-WCZMLVOGSA-N
MW425.62 g/mol
LogP7.67
Rot. Bonds4

About N-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine

N-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine (PubChem CID 90442397) has the molecular formula C29H35N3 and a molecular weight of 425.62 g/mol. Its IUPAC name is N-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine.

Molecular Properties

Compound NameN-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine
PubChem CID90442397
Molecular FormulaC29H35N3
Molecular Weight425.62 g/mol
Exact Mass425.28
IUPAC NameN-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine
SMILESCc1c(C)c(C)c(/N=C/c2cccc(/C=N/c3c(C)c(C)c(C)c(C)c3C)n2)c(C)c1C
InChIInChI=1S/C29H35N3/c1-16-18(3)22(7)28(23(8)19(16)4)30-14-26-12-11-13-27(32-26)15-31-29-24(9)20(5)17(2)21(6)25(29)10/h11-15H,1-10H3/b30-14+,31-15+
InChIKeyIUUUQFCUGDGTJE-WCZMLVOGSA-N
XLogP7.67
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine?
The IUPAC name of N-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine (CID 90442397) is N-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine.
What is the SMILES notation for N-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine?
The canonical SMILES for N-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine is Cc1c(C)c(C)c(/N=C/c2cccc(/C=N/c3c(C)c(C)c(C)c(C)c3C)n2)c(C)c1C.
What is the InChIKey of N-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine?
The InChIKey is IUUUQFCUGDGTJE-WCZMLVOGSA-N. The full InChI is InChI=1S/C29H35N3/c1-16-18(3)22(7)28(23(8)19(16)4)30-14-26-12-11-13-27(32-26)15-31-29-24(9)20(5)17(2)21(6)25(29)10/h11-15H,1-10H3/b30-14+,31-15+.
What are the key properties of N-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine?
N-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine has a molecular weight of 425.62 g/mol, XLogP of 7.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine is sourced from PubChem (CID 90442397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).