N-anthracen-9-yl-1-[6-(N-anthracen-9-yl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine

C37H27N3 — CID 89292539

IUPACN-anthracen-9-yl-1-[6-(N-anthracen-9-yl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine
SMILESC/C(=N\c1c2ccccc2cc2ccccc12)c1cccc(/C(C)=N/c2c3ccccc3cc3ccccc23)n1
InChIInChI=1S/C37H27N3/c1-24(38-36-30-16-7-3-12-26(30)22-27-13-4-8-17-31(27)36)34-20-11-21-35(40-34)25(2)39-37-32-18-9-5-14-28(32)23-29-15-6-10-19-33(29)37/h3-23H,1-2H3/b38-24+,39-25+
InChIKeyJGNONRMDEZKZRO-JILWXUFLSA-N
MW513.64 g/mol
LogP9.98
Rot. Bonds4

About N-anthracen-9-yl-1-[6-(N-anthracen-9-yl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine

N-anthracen-9-yl-1-[6-(N-anthracen-9-yl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine (PubChem CID 89292539) has the molecular formula C37H27N3 and a molecular weight of 513.64 g/mol. Its IUPAC name is N-anthracen-9-yl-1-[6-(N-anthracen-9-yl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine.

Molecular Properties

Compound NameN-anthracen-9-yl-1-[6-(N-anthracen-9-yl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine
PubChem CID89292539
Molecular FormulaC37H27N3
Molecular Weight513.64 g/mol
Exact Mass513.22
IUPAC NameN-anthracen-9-yl-1-[6-(N-anthracen-9-yl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine
SMILESC/C(=N\c1c2ccccc2cc2ccccc12)c1cccc(/C(C)=N/c2c3ccccc3cc3ccccc23)n1
InChIInChI=1S/C37H27N3/c1-24(38-36-30-16-7-3-12-26(30)22-27-13-4-8-17-31(27)36)34-20-11-21-35(40-34)25(2)39-37-32-18-9-5-14-28(32)23-29-15-6-10-19-33(29)37/h3-23H,1-2H3/b38-24+,39-25+
InChIKeyJGNONRMDEZKZRO-JILWXUFLSA-N
XLogP9.98
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-anthracen-9-yl-1-[6-(N-anthracen-9-yl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine?
The IUPAC name of N-anthracen-9-yl-1-[6-(N-anthracen-9-yl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine (CID 89292539) is N-anthracen-9-yl-1-[6-(N-anthracen-9-yl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine.
What is the SMILES notation for N-anthracen-9-yl-1-[6-(N-anthracen-9-yl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine?
The canonical SMILES for N-anthracen-9-yl-1-[6-(N-anthracen-9-yl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine is C/C(=N\c1c2ccccc2cc2ccccc12)c1cccc(/C(C)=N/c2c3ccccc3cc3ccccc23)n1.
What is the InChIKey of N-anthracen-9-yl-1-[6-(N-anthracen-9-yl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine?
The InChIKey is JGNONRMDEZKZRO-JILWXUFLSA-N. The full InChI is InChI=1S/C37H27N3/c1-24(38-36-30-16-7-3-12-26(30)22-27-13-4-8-17-31(27)36)34-20-11-21-35(40-34)25(2)39-37-32-18-9-5-14-28(32)23-29-15-6-10-19-33(29)37/h3-23H,1-2H3/b38-24+,39-25+.
What are the key properties of N-anthracen-9-yl-1-[6-(N-anthracen-9-yl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine?
N-anthracen-9-yl-1-[6-(N-anthracen-9-yl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine has a molecular weight of 513.64 g/mol, XLogP of 9.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-anthracen-9-yl-1-[6-(N-anthracen-9-yl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine is sourced from PubChem (CID 89292539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).