N-(2-anthracen-1-yl-6-phenoxyphenyl)methanimine

C27H19NO — CID 20500023

IUPACN-(2-anthracen-1-yl-6-phenoxyphenyl)methanimine
SMILESC=Nc1c(Oc2ccccc2)cccc1-c1cccc2cc3ccccc3cc12
InChIInChI=1S/C27H19NO/c1-28-27-24(15-8-16-26(27)29-22-12-3-2-4-13-22)23-14-7-11-21-17-19-9-5-6-10-20(19)18-25(21)23/h2-18H,1H2
InChIKeyCLBSWFIYTJPZTL-UHFFFAOYSA-N
MW373.46 g/mol
LogP7.78
Rot. Bonds4

About N-(2-anthracen-1-yl-6-phenoxyphenyl)methanimine

N-(2-anthracen-1-yl-6-phenoxyphenyl)methanimine (PubChem CID 20500023) has the molecular formula C27H19NO and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(2-anthracen-1-yl-6-phenoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(2-anthracen-1-yl-6-phenoxyphenyl)methanimine
PubChem CID20500023
Molecular FormulaC27H19NO
Molecular Weight373.46 g/mol
Exact Mass373.15
IUPAC NameN-(2-anthracen-1-yl-6-phenoxyphenyl)methanimine
SMILESC=Nc1c(Oc2ccccc2)cccc1-c1cccc2cc3ccccc3cc12
InChIInChI=1S/C27H19NO/c1-28-27-24(15-8-16-26(27)29-22-12-3-2-4-13-22)23-14-7-11-21-17-19-9-5-6-10-20(19)18-25(21)23/h2-18H,1H2
InChIKeyCLBSWFIYTJPZTL-UHFFFAOYSA-N
XLogP7.78
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

CID 72545531
CID 72545531
CID 328738
CID 328738
CID 113167
CID 113167
CID 14970328
CID 14970328
CID 53789101
CID 53789101
CID 103163
CID 103163
CID 57275612
CID 57275612
CID 87662653
CID 87662653
CID 166850205
CID 166850205
CID 170397493
CID 170397493
CID 170397494
CID 170397494
CID 170397499
CID 170397499

Frequently Asked Questions

What is the IUPAC name of N-(2-anthracen-1-yl-6-phenoxyphenyl)methanimine?
The IUPAC name of N-(2-anthracen-1-yl-6-phenoxyphenyl)methanimine (CID 20500023) is N-(2-anthracen-1-yl-6-phenoxyphenyl)methanimine.
What is the SMILES notation for N-(2-anthracen-1-yl-6-phenoxyphenyl)methanimine?
The canonical SMILES for N-(2-anthracen-1-yl-6-phenoxyphenyl)methanimine is C=Nc1c(Oc2ccccc2)cccc1-c1cccc2cc3ccccc3cc12.
What is the InChIKey of N-(2-anthracen-1-yl-6-phenoxyphenyl)methanimine?
The InChIKey is CLBSWFIYTJPZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NO/c1-28-27-24(15-8-16-26(27)29-22-12-3-2-4-13-22)23-14-7-11-21-17-19-9-5-6-10-20(19)18-25(21)23/h2-18H,1H2.
What are the key properties of N-(2-anthracen-1-yl-6-phenoxyphenyl)methanimine?
N-(2-anthracen-1-yl-6-phenoxyphenyl)methanimine has a molecular weight of 373.46 g/mol, XLogP of 7.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anthracen-1-yl-6-phenoxyphenyl)methanimine is sourced from PubChem (CID 20500023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).