N-[2,6-di(cycloheptyl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine

C36H40N2 — CID 167424007

IUPACN-[2,6-di(cycloheptyl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine
SMILESC(=N/c1c(C2CCCCCC2)cccc1C1CCCCCC1)\c1cccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C36H40N2/c1-2-6-15-28(14-5-1)32-22-13-23-33(29-16-7-3-4-8-17-29)36(32)37-26-30-20-12-25-35(38-30)34-24-11-19-27-18-9-10-21-31(27)34/h9-13,18-26,28-29H,1-8,14-17H2/b37-26+
InChIKeyCRWOEWLHGQOJLB-AVLPFNLUSA-N
MW500.73 g/mol
LogP10.53
Rot. Bonds5

About N-[2,6-di(cycloheptyl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine

N-[2,6-di(cycloheptyl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine (PubChem CID 167424007) has the molecular formula C36H40N2 and a molecular weight of 500.73 g/mol. Its IUPAC name is N-[2,6-di(cycloheptyl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine.

Molecular Properties

Compound NameN-[2,6-di(cycloheptyl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine
PubChem CID167424007
Molecular FormulaC36H40N2
Molecular Weight500.73 g/mol
Exact Mass500.32
IUPAC NameN-[2,6-di(cycloheptyl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine
SMILESC(=N/c1c(C2CCCCCC2)cccc1C1CCCCCC1)\c1cccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C36H40N2/c1-2-6-15-28(14-5-1)32-22-13-23-33(29-16-7-3-4-8-17-29)36(32)37-26-30-20-12-25-35(38-30)34-24-11-19-27-18-9-10-21-31(27)34/h9-13,18-26,28-29H,1-8,14-17H2/b37-26+
InChIKeyCRWOEWLHGQOJLB-AVLPFNLUSA-N
XLogP10.53
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.73
LogP ≤ 510.53
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-dicyclohexylphenyl)-1-[6-[(2,6-dicyclohexylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride
CID 173242929
N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine
CID 12070562
neodymium(3+);N-(2,4,6-tricyclohexylphenyl)-1-[6-[(2,4,6-tricyclohexylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride
CID 173243063
N-(2,6-dicyclohexylphenyl)-1-[6-[(2,6-dicyclohexylphenyl)iminomethyl]-4-methyl-2-pyridinyl]methanimine;iron(2+);dichloride
CID 70012445
N-(2,6-dicyclohexyl-4-methylphenyl)-1-[6-[(2,6-dicyclohexyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine;neodymium(3+);trichloride
CID 173244845
1-[4-chloro-6-[(2,6-dicyclohexylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dicyclohexylphenyl)methanimine;iron(2+);dichloride
CID 70012593
azane;2-cyclohexyl-1-nitrosonaphthalene
CID 88719595
2-[(2,6-dicyclohexylphenyl)iminomethyl]phenol
CID 137225896
2,6-dicyclopentyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline
CID 167424006
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 170303000
4-cyclohexylisoquinoline
CID 21394649
2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol
CID 137225880

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(cycloheptyl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine?
The IUPAC name of N-[2,6-di(cycloheptyl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine (CID 167424007) is N-[2,6-di(cycloheptyl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine.
What is the SMILES notation for N-[2,6-di(cycloheptyl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine?
The canonical SMILES for N-[2,6-di(cycloheptyl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine is C(=N/c1c(C2CCCCCC2)cccc1C1CCCCCC1)\c1cccc(-c2cccc3ccccc23)n1.
What is the InChIKey of N-[2,6-di(cycloheptyl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine?
The InChIKey is CRWOEWLHGQOJLB-AVLPFNLUSA-N. The full InChI is InChI=1S/C36H40N2/c1-2-6-15-28(14-5-1)32-22-13-23-33(29-16-7-3-4-8-17-29)36(32)37-26-30-20-12-25-35(38-30)34-24-11-19-27-18-9-10-21-31(27)34/h9-13,18-26,28-29H,1-8,14-17H2/b37-26+.
What are the key properties of N-[2,6-di(cycloheptyl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine?
N-[2,6-di(cycloheptyl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine has a molecular weight of 500.73 g/mol, XLogP of 10.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(cycloheptyl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine is sourced from PubChem (CID 167424007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).