N-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine

C90H84N6 — CID 139193639

IUPACN-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine
SMILESCc1cc(-c2cc(C)c(/N=C/c3ccccc3)c(C)c2)cc(C)c1/N=C/c1ccccc1.Cc1cc(-c2cc(C)c(/N=C/c3ccccc3)c(C)c2)cc(C)c1/N=C/c1ccccc1.Cc1cc(-c2cc(C)c(/N=C/c3ccccc3)c(C)c2)cc(C)c1/N=C/c1ccccc1
InChIInChI=1S/3C30H28N2/c3*1-21-15-27(16-22(2)29(21)31-19-25-11-7-5-8-12-25)28-17-23(3)30(24(4)18-28)32-20-26-13-9-6-10-14-26/h3*5-20H,1-4H3/b3*31-19+,32-20+
InChIKeyGBYUHAJQSKFTFW-CMDWGPAWSA-N
MW1249.70 g/mol
LogP24.27
Rot. Bonds15

About N-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine

N-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine (PubChem CID 139193639) has the molecular formula C90H84N6 and a molecular weight of 1249.70 g/mol. Its IUPAC name is N-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine
PubChem CID139193639
Molecular FormulaC90H84N6
Molecular Weight1249.70 g/mol
Exact Mass1248.68
IUPAC NameN-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine
SMILESCc1cc(-c2cc(C)c(/N=C/c3ccccc3)c(C)c2)cc(C)c1/N=C/c1ccccc1.Cc1cc(-c2cc(C)c(/N=C/c3ccccc3)c(C)c2)cc(C)c1/N=C/c1ccccc1.Cc1cc(-c2cc(C)c(/N=C/c3ccccc3)c(C)c2)cc(C)c1/N=C/c1ccccc1
InChIInChI=1S/3C30H28N2/c3*1-21-15-27(16-22(2)29(21)31-19-25-11-7-5-8-12-25)28-17-23(3)30(24(4)18-28)32-20-26-13-9-6-10-14-26/h3*5-20H,1-4H3/b3*31-19+,32-20+
InChIKeyGBYUHAJQSKFTFW-CMDWGPAWSA-N
XLogP24.27
TPSA74.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001249.70
LogP ≤ 524.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-6-methylphenyl)-1-phenylmethanimine
CID 5152819
N,1-diphenylmethanimine
CID 10858
1-phenyl-N-[4-(4-phenylphenyl)phenyl]methanimine
CID 101426517
1-phenyl-N-(2,3,5,6-tetrafluorophenyl)methanimine
CID 102515633
N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide
CID 20517414
N-(4,6-dimethylpyrimidin-2-yl)-1-phenylmethanimine
CID 3672393
1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine
CID 102429934
N-[2-(benzylideneamino)-3,8-dimethylbenzo[c][1,2]benzodithiin-9-yl]-1-phenylmethanimine
CID 59167423
N-(2-methoxy-6-phenylphenyl)-1-phenylmethanimine
CID 67447702
N,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline
CID 1378244
ethane;N-methyl-1-phenylmethanimine
CID 90887000
CID 69293722
CID 69293722

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine?
The IUPAC name of N-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine (CID 139193639) is N-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine.
What is the SMILES notation for N-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine?
The canonical SMILES for N-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine is Cc1cc(-c2cc(C)c(/N=C/c3ccccc3)c(C)c2)cc(C)c1/N=C/c1ccccc1.Cc1cc(-c2cc(C)c(/N=C/c3ccccc3)c(C)c2)cc(C)c1/N=C/c1ccccc1.Cc1cc(-c2cc(C)c(/N=C/c3ccccc3)c(C)c2)cc(C)c1/N=C/c1ccccc1.
What is the InChIKey of N-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine?
The InChIKey is GBYUHAJQSKFTFW-CMDWGPAWSA-N. The full InChI is InChI=1S/3C30H28N2/c3*1-21-15-27(16-22(2)29(21)31-19-25-11-7-5-8-12-25)28-17-23(3)30(24(4)18-28)32-20-26-13-9-6-10-14-26/h3*5-20H,1-4H3/b3*31-19+,32-20+.
What are the key properties of N-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine?
N-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine has a molecular weight of 1249.70 g/mol, XLogP of 24.27, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine is sourced from PubChem (CID 139193639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).