N-[2-[3-(2,6-dimethylphenyl)phenyl]phenyl]-1-[6-[4-(3,5-dimethylphenyl)-2-pyridinyl]-2-pyridinyl]methanimine

C39H33N3 — CID 58233166

IUPACN-[2-[3-(2,6-dimethylphenyl)phenyl]phenyl]-1-[6-[4-(3,5-dimethylphenyl)-2-pyridinyl]-2-pyridinyl]methanimine
SMILESCc1cc(C)cc(-c2ccnc(-c3cccc(/C=N\c4ccccc4-c4cccc(-c5c(C)cccc5C)c4)n3)c2)c1
InChIInChI=1S/C39H33N3/c1-26-20-27(2)22-33(21-26)30-18-19-40-38(24-30)37-17-9-14-34(42-37)25-41-36-16-6-5-15-35(36)31-12-8-13-32(23-31)39-28(3)10-7-11-29(39)4/h5-25H,1-4H3/b41-25-
InChIKeyBYAABHMSLNHABU-RSEYIHLLSA-N
MW543.71 g/mol
LogP10.13
Rot. Bonds6

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

N-[2-[3-(2,6-dimethylphenyl)phenyl]phenyl]-1-[6-[4-(3,5-dimethylphenyl)-2-pyridinyl]-2-pyridinyl]methanimine (PubChem CID 58233166) has the molecular formula C39H33N3 and a molecular weight of 543.71 g/mol. Its IUPAC name is N-[2-[3-(2,6-dimethylphenyl)phenyl]phenyl]-1-[6-[4-(3,5-dimethylphenyl)-2-pyridinyl]-2-pyridinyl]methanimine.

Molecular Properties

Compound NameN-[2-[3-(2,6-dimethylphenyl)phenyl]phenyl]-1-[6-[4-(3,5-dimethylphenyl)-2-pyridinyl]-2-pyridinyl]methanimine
PubChem CID58233166
Molecular FormulaC39H33N3
Molecular Weight543.71 g/mol
Exact Mass543.27
IUPAC NameN-[2-[3-(2,6-dimethylphenyl)phenyl]phenyl]-1-[6-[4-(3,5-dimethylphenyl)-2-pyridinyl]-2-pyridinyl]methanimine
SMILESCc1cc(C)cc(-c2ccnc(-c3cccc(/C=N\c4ccccc4-c4cccc(-c5c(C)cccc5C)c4)n3)c2)c1
InChIInChI=1S/C39H33N3/c1-26-20-27(2)22-33(21-26)30-18-19-40-38(24-30)37-17-9-14-34(42-37)25-41-36-16-6-5-15-35(36)31-12-8-13-32(23-31)39-28(3)10-7-11-29(39)4/h5-25H,1-4H3/b41-25-
InChIKeyBYAABHMSLNHABU-RSEYIHLLSA-N
XLogP10.13
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.71
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2,6-dimethylphenyl)phenyl]phenyl]-1-[6-[4-(3,5-dimethylphenyl)-2-pyridinyl]-2-pyridinyl]methanimine?
The IUPAC name of N-[2-[3-(2,6-dimethylphenyl)phenyl]phenyl]-1-[6-[4-(3,5-dimethylphenyl)-2-pyridinyl]-2-pyridinyl]methanimine (CID 58233166) is N-[2-[3-(2,6-dimethylphenyl)phenyl]phenyl]-1-[6-[4-(3,5-dimethylphenyl)-2-pyridinyl]-2-pyridinyl]methanimine.
What is the SMILES notation for N-[2-[3-(2,6-dimethylphenyl)phenyl]phenyl]-1-[6-[4-(3,5-dimethylphenyl)-2-pyridinyl]-2-pyridinyl]methanimine?
The canonical SMILES for N-[2-[3-(2,6-dimethylphenyl)phenyl]phenyl]-1-[6-[4-(3,5-dimethylphenyl)-2-pyridinyl]-2-pyridinyl]methanimine is Cc1cc(C)cc(-c2ccnc(-c3cccc(/C=N\c4ccccc4-c4cccc(-c5c(C)cccc5C)c4)n3)c2)c1.
What is the InChIKey of N-[2-[3-(2,6-dimethylphenyl)phenyl]phenyl]-1-[6-[4-(3,5-dimethylphenyl)-2-pyridinyl]-2-pyridinyl]methanimine?
The InChIKey is BYAABHMSLNHABU-RSEYIHLLSA-N. The full InChI is InChI=1S/C39H33N3/c1-26-20-27(2)22-33(21-26)30-18-19-40-38(24-30)37-17-9-14-34(42-37)25-41-36-16-6-5-15-35(36)31-12-8-13-32(23-31)39-28(3)10-7-11-29(39)4/h5-25H,1-4H3/b41-25-.
What are the key properties of N-[2-[3-(2,6-dimethylphenyl)phenyl]phenyl]-1-[6-[4-(3,5-dimethylphenyl)-2-pyridinyl]-2-pyridinyl]methanimine?
N-[2-[3-(2,6-dimethylphenyl)phenyl]phenyl]-1-[6-[4-(3,5-dimethylphenyl)-2-pyridinyl]-2-pyridinyl]methanimine has a molecular weight of 543.71 g/mol, XLogP of 10.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,6-dimethylphenyl)phenyl]phenyl]-1-[6-[4-(3,5-dimethylphenyl)-2-pyridinyl]-2-pyridinyl]methanimine is sourced from PubChem (CID 58233166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).