[naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]methanimine

C20H20BN — CID 91405215

IUPAC[naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]methanimine
SMILES[H]/N=C/B(c1c(C)cc(C)cc1C)c1cccc2ccccc12
InChIInChI=1S/C20H20BN/c1-14-11-15(2)20(16(3)12-14)21(13-22)19-10-6-8-17-7-4-5-9-18(17)19/h4-13,22H,1-3H3/b22-13+
InChIKeyXPWUIAAQEACCSZ-LPYMAVHISA-N
MW285.20 g/mol
LogP3.56
Rot. Bonds3

About [naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]methanimine

[naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]methanimine (PubChem CID 91405215) has the molecular formula C20H20BN and a molecular weight of 285.20 g/mol. Its IUPAC name is [naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]methanimine.

Molecular Properties

Compound Name[naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]methanimine
PubChem CID91405215
Molecular FormulaC20H20BN
Molecular Weight285.20 g/mol
Exact Mass285.17
IUPAC Name[naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]methanimine
SMILES[H]/N=C/B(c1c(C)cc(C)cc1C)c1cccc2ccccc12
InChIInChI=1S/C20H20BN/c1-14-11-15(2)20(16(3)12-14)21(13-22)19-10-6-8-17-7-4-5-9-18(17)19/h4-13,22H,1-3H3/b22-13+
InChIKeyXPWUIAAQEACCSZ-LPYMAVHISA-N
XLogP3.56
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl-naphthalen-1-yl-(2,4,6-trimethylphenyl)borane
CID 20689823
[10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane
CID 102241957
1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene
CID 71418637
1,3-dimethylnaphthalene;ethane
CID 145447624
[6-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-4-yl]-bis(2,4,6-trimethylphenyl)borane;toluene
CID 139105726
1,3,10-trimethylphenanthrene
CID 12996190
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
bis[2-(bromomethyl)-4,6-dimethylphenyl]-phenylborane
CID 54284397
methyl-naphthalen-1-yl-phenylborane
CID 20646116
2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene-(2,4,6-trimethylphenyl)phosphane
CID 139044173
naphthalen-1-yl-(2,4,6-trimethylphenyl)phosphinous acid
CID 19103083
[(E)-2-[4-[(E)-2-bis(2,4,6-trimethylphenyl)boranylethenyl]phenyl]ethenyl]-bis(2,4,6-trimethylphenyl)borane
CID 101364649

Frequently Asked Questions

What is the IUPAC name of [naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]methanimine?
The IUPAC name of [naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]methanimine (CID 91405215) is [naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]methanimine.
What is the SMILES notation for [naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]methanimine?
The canonical SMILES for [naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]methanimine is [H]/N=C/B(c1c(C)cc(C)cc1C)c1cccc2ccccc12.
What is the InChIKey of [naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]methanimine?
The InChIKey is XPWUIAAQEACCSZ-LPYMAVHISA-N. The full InChI is InChI=1S/C20H20BN/c1-14-11-15(2)20(16(3)12-14)21(13-22)19-10-6-8-17-7-4-5-9-18(17)19/h4-13,22H,1-3H3/b22-13+.
What are the key properties of [naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]methanimine?
[naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]methanimine has a molecular weight of 285.20 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]methanimine is sourced from PubChem (CID 91405215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).