(E)-N-[4,6-bis[(E)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-yl]-1-naphthalen-1-ylmethanimine

C36H24N6 — CID 22086741

IUPAC(E)-N-[4,6-bis[(E)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-yl]-1-naphthalen-1-ylmethanimine
SMILESC(=N/c1nc(/N=C/c2cccc3ccccc23)nc(/N=C/c2cccc3ccccc23)n1)\c1cccc2ccccc12
InChIInChI=1S/C36H24N6/c1-4-19-31-25(10-1)13-7-16-28(31)22-37-34-40-35(38-23-29-17-8-14-26-11-2-5-20-32(26)29)42-36(41-34)39-24-30-18-9-15-27-12-3-6-21-33(27)30/h1-24H/b37-22+,38-23+,39-24+
InChIKeyGACRXIRHGYBDJM-ZLTZTYTLSA-N
MW540.63 g/mol
LogP8.58
Rot. Bonds6

About (E)-N-[4,6-bis[(E)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-yl]-1-naphthalen-1-ylmethanimine

(E)-N-[4,6-bis[(E)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-yl]-1-naphthalen-1-ylmethanimine (PubChem CID 22086741) has the molecular formula C36H24N6 and a molecular weight of 540.63 g/mol. Its IUPAC name is (E)-N-[4,6-bis[(E)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-yl]-1-naphthalen-1-ylmethanimine.

Molecular Properties

Compound Name(E)-N-[4,6-bis[(E)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-yl]-1-naphthalen-1-ylmethanimine
PubChem CID22086741
Molecular FormulaC36H24N6
Molecular Weight540.63 g/mol
Exact Mass540.21
IUPAC Name(E)-N-[4,6-bis[(E)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-yl]-1-naphthalen-1-ylmethanimine
SMILESC(=N/c1nc(/N=C/c2cccc3ccccc23)nc(/N=C/c2cccc3ccccc23)n1)\c1cccc2ccccc12
InChIInChI=1S/C36H24N6/c1-4-19-31-25(10-1)13-7-16-28(31)22-37-34-40-35(38-23-29-17-8-14-26-11-2-5-20-32(26)29)42-36(41-34)39-24-30-18-9-15-27-12-3-6-21-33(27)30/h1-24H/b37-22+,38-23+,39-24+
InChIKeyGACRXIRHGYBDJM-ZLTZTYTLSA-N
XLogP8.58
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.63
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-N-[4,6-bis[(E)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-yl]-1-naphthalen-1-ylmethanimine with MolForge

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

Launch Full Analysis

Related Compounds

1-naphthalen-1-yl-N-phenylmethanimine
CID 615538
1-naphthalen-1-yl-N-propan-2-ylmethanimine
CID 10352682
N-[(E)-naphthalen-1-ylmethylideneamino]methanamine
CID 110337745
N-[2-methyl-4-[3-methyl-4-(naphthalen-1-ylmethylideneamino)phenyl]phenyl]-1-naphthalen-1-ylmethanimine
CID 2195225
N-(2,4-dibromophenyl)-1-naphthalen-1-ylmethanimine
CID 21210393
N-(2,4-dimethylphenyl)-1-naphthalen-1-ylmethanimine
CID 1381168
N-(naphthalen-1-ylmethylidene)sulfamoyl fluoride
CID 175231621
1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine
CID 3517889
N-(4-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine
CID 4580179
4-methyl-2-(naphthalen-1-ylmethylideneamino)phenol
CID 832580
N-(4-bromo-3-methylphenyl)-1-naphthalen-1-ylmethanimine
CID 2346219
1,3-bis(naphthalen-1-ylmethylideneamino)thiourea
CID 5196948

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4,6-bis[(E)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-yl]-1-naphthalen-1-ylmethanimine?
The IUPAC name of (E)-N-[4,6-bis[(E)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-yl]-1-naphthalen-1-ylmethanimine (CID 22086741) is (E)-N-[4,6-bis[(E)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-yl]-1-naphthalen-1-ylmethanimine.
What is the SMILES notation for (E)-N-[4,6-bis[(E)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-yl]-1-naphthalen-1-ylmethanimine?
The canonical SMILES for (E)-N-[4,6-bis[(E)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-yl]-1-naphthalen-1-ylmethanimine is C(=N/c1nc(/N=C/c2cccc3ccccc23)nc(/N=C/c2cccc3ccccc23)n1)\c1cccc2ccccc12.
What is the InChIKey of (E)-N-[4,6-bis[(E)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-yl]-1-naphthalen-1-ylmethanimine?
The InChIKey is GACRXIRHGYBDJM-ZLTZTYTLSA-N. The full InChI is InChI=1S/C36H24N6/c1-4-19-31-25(10-1)13-7-16-28(31)22-37-34-40-35(38-23-29-17-8-14-26-11-2-5-20-32(26)29)42-36(41-34)39-24-30-18-9-15-27-12-3-6-21-33(27)30/h1-24H/b37-22+,38-23+,39-24+.
What are the key properties of (E)-N-[4,6-bis[(E)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-yl]-1-naphthalen-1-ylmethanimine?
(E)-N-[4,6-bis[(E)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-yl]-1-naphthalen-1-ylmethanimine has a molecular weight of 540.63 g/mol, XLogP of 8.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4,6-bis[(E)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-yl]-1-naphthalen-1-ylmethanimine is sourced from PubChem (CID 22086741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).