2-(4-aminophenyl)-10-ethylideneanthracen-9-one

C22H17NO — CID 121306780

IUPAC2-(4-aminophenyl)-10-ethylideneanthracen-9-one
SMILESCC=C1c2ccccc2C(=O)c2cc(-c3ccc(N)cc3)ccc21
InChIInChI=1S/C22H17NO/c1-2-17-18-5-3-4-6-20(18)22(24)21-13-15(9-12-19(17)21)14-7-10-16(23)11-8-14/h2-13H,23H2,1H3
InChIKeyPDNHBMYPTCMCFD-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.93
Rot. Bonds1

About 2-(4-aminophenyl)-10-ethylideneanthracen-9-one

2-(4-aminophenyl)-10-ethylideneanthracen-9-one (PubChem CID 121306780) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(4-aminophenyl)-10-ethylideneanthracen-9-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-10-ethylideneanthracen-9-one
PubChem CID121306780
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name2-(4-aminophenyl)-10-ethylideneanthracen-9-one
SMILESCC=C1c2ccccc2C(=O)c2cc(-c3ccc(N)cc3)ccc21
InChIInChI=1S/C22H17NO/c1-2-17-18-5-3-4-6-20(18)22(24)21-13-15(9-12-19(17)21)14-7-10-16(23)11-8-14/h2-13H,23H2,1H3
InChIKeyPDNHBMYPTCMCFD-UHFFFAOYSA-N
XLogP4.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(9-oxofluoren-2-yl)fluoren-9-one
CID 86119721
2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione
CID 175395757
(2E,3Z)-2,3-di(ethylidene)inden-1-one;methanamine
CID 142271193
3-[2-[7-[2-(2-carboxyethyl)phenyl]-10-ethylidene-9-oxoanthracen-2-yl]phenyl]propanoic acid
CID 121306782
5-(4-aminophenyl)-2-[2-[2-[5-(4-aminophenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione
CID 171043216
benzene-1,4-diamine;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione
CID 159673650
4-[3,4-bis(4-aminophenyl)phenyl]aniline
CID 101079504
2-thiophen-3-ylanthracene-9,10-dione
CID 170898858
2-aminoanthracene-9,10-dione;1-methylpyrrole-2,5-dione
CID 159383507
CID 158261979
CID 158261979
4-(9-methyl-9H-fluoren-2-yl)aniline
CID 58384009
sodium 4-(9,10-dioxophenanthren-2-yl)benzenesulfonate
CID 140610885

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-10-ethylideneanthracen-9-one?
The IUPAC name of 2-(4-aminophenyl)-10-ethylideneanthracen-9-one (CID 121306780) is 2-(4-aminophenyl)-10-ethylideneanthracen-9-one.
What is the SMILES notation for 2-(4-aminophenyl)-10-ethylideneanthracen-9-one?
The canonical SMILES for 2-(4-aminophenyl)-10-ethylideneanthracen-9-one is CC=C1c2ccccc2C(=O)c2cc(-c3ccc(N)cc3)ccc21.
What is the InChIKey of 2-(4-aminophenyl)-10-ethylideneanthracen-9-one?
The InChIKey is PDNHBMYPTCMCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-2-17-18-5-3-4-6-20(18)22(24)21-13-15(9-12-19(17)21)14-7-10-16(23)11-8-14/h2-13H,23H2,1H3.
What are the key properties of 2-(4-aminophenyl)-10-ethylideneanthracen-9-one?
2-(4-aminophenyl)-10-ethylideneanthracen-9-one has a molecular weight of 311.38 g/mol, XLogP of 4.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-10-ethylideneanthracen-9-one is sourced from PubChem (CID 121306780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).