N-cyclopenta-1,3-dien-1-ylanthracene-9-carboximidate

C20H14NO- — CID 59861888

IUPACN-cyclopenta-1,3-dien-1-ylanthracene-9-carboximidate
SMILES[O-]/C(=N\C1=CC=CC1)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H15NO/c22-20(21-16-9-3-4-10-16)19-17-11-5-1-7-14(17)13-15-8-2-6-12-18(15)19/h1-9,11-13H,10H2,(H,21,22)/p-1
InChIKeyVXTWIILARSHGGB-UHFFFAOYSA-M
MW284.34 g/mol
LogP3.94
Rot. Bonds2

About N-cyclopenta-1,3-dien-1-ylanthracene-9-carboximidate

N-cyclopenta-1,3-dien-1-ylanthracene-9-carboximidate (PubChem CID 59861888) has the molecular formula C20H14NO- and a molecular weight of 284.34 g/mol. Its IUPAC name is N-cyclopenta-1,3-dien-1-ylanthracene-9-carboximidate.

Molecular Properties

Compound NameN-cyclopenta-1,3-dien-1-ylanthracene-9-carboximidate
PubChem CID59861888
Molecular FormulaC20H14NO-
Molecular Weight284.34 g/mol
Exact Mass284.11
IUPAC NameN-cyclopenta-1,3-dien-1-ylanthracene-9-carboximidate
SMILES[O-]/C(=N\C1=CC=CC1)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H15NO/c22-20(21-16-9-3-4-10-16)19-17-11-5-1-7-14(17)13-15-8-2-6-12-18(15)19/h1-9,11-13H,10H2,(H,21,22)/p-1
InChIKeyVXTWIILARSHGGB-UHFFFAOYSA-M
XLogP3.94
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-2-oxidonaphthalene-1-carboximidate;nickel(2+)
CID 42634362
3-anthracen-9-ylbut-2-enal
CID 174857112
1-(1-hydroxyanthracen-9-yl)ethanone
CID 21140475
N-anthracen-9-yl-1-[6-(N-anthracen-9-yl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine
CID 89292539
4-(cyclopenta-1,3-dien-1-yldiazenyl)phenol
CID 136913192
10-methylidene-1H-anthracene
CID 136880566
5-naphthalen-1-yl-9H-benzo[7]annulene
CID 142998872
2-(C-anthracen-9-yl-N-naphthalen-2-ylcarbonimidoyl)phenol
CID 177390452
3-(anthracene-9-carbonyl)pentane-2,4-dione
CID 102379798
(3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone
CID 67114355
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908

Frequently Asked Questions

What is the IUPAC name of N-cyclopenta-1,3-dien-1-ylanthracene-9-carboximidate?
The IUPAC name of N-cyclopenta-1,3-dien-1-ylanthracene-9-carboximidate (CID 59861888) is N-cyclopenta-1,3-dien-1-ylanthracene-9-carboximidate.
What is the SMILES notation for N-cyclopenta-1,3-dien-1-ylanthracene-9-carboximidate?
The canonical SMILES for N-cyclopenta-1,3-dien-1-ylanthracene-9-carboximidate is [O-]/C(=N\C1=CC=CC1)c1c2ccccc2cc2ccccc12.
What is the InChIKey of N-cyclopenta-1,3-dien-1-ylanthracene-9-carboximidate?
The InChIKey is VXTWIILARSHGGB-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H15NO/c22-20(21-16-9-3-4-10-16)19-17-11-5-1-7-14(17)13-15-8-2-6-12-18(15)19/h1-9,11-13H,10H2,(H,21,22)/p-1.
What are the key properties of N-cyclopenta-1,3-dien-1-ylanthracene-9-carboximidate?
N-cyclopenta-1,3-dien-1-ylanthracene-9-carboximidate has a molecular weight of 284.34 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta-1,3-dien-1-ylanthracene-9-carboximidate is sourced from PubChem (CID 59861888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).