N-(10H-anthracen-9-ylideneamino)-10H-anthracen-9-imine

C28H20N2 — CID 123408849

IUPACN-(10H-anthracen-9-ylideneamino)-10H-anthracen-9-imine
SMILESc1ccc2c(c1)Cc1ccccc1C2=NN=C1c2ccccc2Cc2ccccc21
InChIInChI=1S/C28H20N2/c1-5-13-23-19(9-1)17-20-10-2-6-14-24(20)27(23)29-30-28-25-15-7-3-11-21(25)18-22-12-4-8-16-26(22)28/h1-16H,17-18H2
InChIKeyOEYITGIJRNEVLK-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.78
Rot. Bonds1

About N-(10H-anthracen-9-ylideneamino)-10H-anthracen-9-imine

N-(10H-anthracen-9-ylideneamino)-10H-anthracen-9-imine (PubChem CID 123408849) has the molecular formula C28H20N2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(10H-anthracen-9-ylideneamino)-10H-anthracen-9-imine.

Molecular Properties

Compound NameN-(10H-anthracen-9-ylideneamino)-10H-anthracen-9-imine
PubChem CID123408849
Molecular FormulaC28H20N2
Molecular Weight384.48 g/mol
Exact Mass384.16
IUPAC NameN-(10H-anthracen-9-ylideneamino)-10H-anthracen-9-imine
SMILESc1ccc2c(c1)Cc1ccccc1C2=NN=C1c2ccccc2Cc2ccccc21
InChIInChI=1S/C28H20N2/c1-5-13-23-19(9-1)17-20-10-2-6-14-24(20)27(23)29-30-28-25-15-7-3-11-21(25)18-22-12-4-8-16-26(22)28/h1-16H,17-18H2
InChIKeyOEYITGIJRNEVLK-UHFFFAOYSA-N
XLogP5.78
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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9H-fluorene;oxozirconium
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Frequently Asked Questions

What is the IUPAC name of N-(10H-anthracen-9-ylideneamino)-10H-anthracen-9-imine?
The IUPAC name of N-(10H-anthracen-9-ylideneamino)-10H-anthracen-9-imine (CID 123408849) is N-(10H-anthracen-9-ylideneamino)-10H-anthracen-9-imine.
What is the SMILES notation for N-(10H-anthracen-9-ylideneamino)-10H-anthracen-9-imine?
The canonical SMILES for N-(10H-anthracen-9-ylideneamino)-10H-anthracen-9-imine is c1ccc2c(c1)Cc1ccccc1C2=NN=C1c2ccccc2Cc2ccccc21.
What is the InChIKey of N-(10H-anthracen-9-ylideneamino)-10H-anthracen-9-imine?
The InChIKey is OEYITGIJRNEVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2/c1-5-13-23-19(9-1)17-20-10-2-6-14-24(20)27(23)29-30-28-25-15-7-3-11-21(25)18-22-12-4-8-16-26(22)28/h1-16H,17-18H2.
What are the key properties of N-(10H-anthracen-9-ylideneamino)-10H-anthracen-9-imine?
N-(10H-anthracen-9-ylideneamino)-10H-anthracen-9-imine has a molecular weight of 384.48 g/mol, XLogP of 5.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10H-anthracen-9-ylideneamino)-10H-anthracen-9-imine is sourced from PubChem (CID 123408849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).