4-anilino-10-methylideneanthracen-9-one

C21H15NO — CID 56629150

IUPAC4-anilino-10-methylideneanthracen-9-one
SMILESC=C1c2ccccc2C(=O)c2cccc(Nc3ccccc3)c21
InChIInChI=1S/C21H15NO/c1-14-16-10-5-6-11-17(16)21(23)18-12-7-13-19(20(14)18)22-15-8-3-2-4-9-15/h2-13,22H,1H2
InChIKeyFSMZRDNUIIQNKJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP5.04
Rot. Bonds2

About 4-anilino-10-methylideneanthracen-9-one

4-anilino-10-methylideneanthracen-9-one (PubChem CID 56629150) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-anilino-10-methylideneanthracen-9-one.

Molecular Properties

Compound Name4-anilino-10-methylideneanthracen-9-one
PubChem CID56629150
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Name4-anilino-10-methylideneanthracen-9-one
SMILESC=C1c2ccccc2C(=O)c2cccc(Nc3ccccc3)c21
InChIInChI=1S/C21H15NO/c1-14-16-10-5-6-11-17(16)21(23)18-12-7-13-19(20(14)18)22-15-8-3-2-4-9-15/h2-13,22H,1H2
InChIKeyFSMZRDNUIIQNKJ-UHFFFAOYSA-N
XLogP5.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9-methylidene-10-oxoanthracen-1-yl)acetamide
CID 138614732
anthracene-9,10-dione;bis(N-phenylaniline)
CID 174974438
9-methylidene-N-(3-methylphenyl)fluoren-1-amine
CID 167216116
1-(4-nitroanilino)anthracene-9,10-dione
CID 631257
1-amino-4-anilinoanthracene-9,10-dione
CID 20419
1-[(5-amino-9,10-dioxoanthracen-1-yl)amino]-4-[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione
CID 6165091
4-(4-chloroanilino)-1-(4-methylanilino)-10-methylideneanthracen-9-one
CID 142244892
N-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide
CID 5166275
1,8-bis(4-methoxyanilino)anthracene-9,10-dione
CID 22756934
1-anilino-4-phenylsulfanylanthracene-9,10-dione
CID 154117825
1-anilino-9,10-dioxoanthracene-2-sulfonic acid
CID 20523512
4-amino-1-(3-aminoanilino)-10-methylidene-3-sulfanylanthracen-9-one
CID 145469109

Frequently Asked Questions

What is the IUPAC name of 4-anilino-10-methylideneanthracen-9-one?
The IUPAC name of 4-anilino-10-methylideneanthracen-9-one (CID 56629150) is 4-anilino-10-methylideneanthracen-9-one.
What is the SMILES notation for 4-anilino-10-methylideneanthracen-9-one?
The canonical SMILES for 4-anilino-10-methylideneanthracen-9-one is C=C1c2ccccc2C(=O)c2cccc(Nc3ccccc3)c21.
What is the InChIKey of 4-anilino-10-methylideneanthracen-9-one?
The InChIKey is FSMZRDNUIIQNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO/c1-14-16-10-5-6-11-17(16)21(23)18-12-7-13-19(20(14)18)22-15-8-3-2-4-9-15/h2-13,22H,1H2.
What are the key properties of 4-anilino-10-methylideneanthracen-9-one?
4-anilino-10-methylideneanthracen-9-one has a molecular weight of 297.36 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-10-methylideneanthracen-9-one is sourced from PubChem (CID 56629150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).