9-methylidene-N-phenylxanthen-4-amine

C20H15NO — CID 88999352

IUPAC9-methylidene-N-phenylxanthen-4-amine
SMILESC=C1c2ccccc2Oc2c(Nc3ccccc3)cccc21
InChIInChI=1S/C20H15NO/c1-14-16-10-5-6-13-19(16)22-20-17(14)11-7-12-18(20)21-15-8-3-2-4-9-15/h2-13,21H,1H2
InChIKeyJHQKPQZKLFPRSP-UHFFFAOYSA-N
MW285.35 g/mol
LogP5.60
Rot. Bonds2

About 9-methylidene-N-phenylxanthen-4-amine

9-methylidene-N-phenylxanthen-4-amine (PubChem CID 88999352) has the molecular formula C20H15NO and a molecular weight of 285.35 g/mol. Its IUPAC name is 9-methylidene-N-phenylxanthen-4-amine.

Molecular Properties

Compound Name9-methylidene-N-phenylxanthen-4-amine
PubChem CID88999352
Molecular FormulaC20H15NO
Molecular Weight285.35 g/mol
Exact Mass285.12
IUPAC Name9-methylidene-N-phenylxanthen-4-amine
SMILESC=C1c2ccccc2Oc2c(Nc3ccccc3)cccc21
InChIInChI=1S/C20H15NO/c1-14-16-10-5-6-13-19(16)22-20-17(14)11-7-12-18(20)21-15-8-3-2-4-9-15/h2-13,21H,1H2
InChIKeyJHQKPQZKLFPRSP-UHFFFAOYSA-N
XLogP5.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.35
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methylidene-N-phenylxanthen-4-amine?
The IUPAC name of 9-methylidene-N-phenylxanthen-4-amine (CID 88999352) is 9-methylidene-N-phenylxanthen-4-amine.
What is the SMILES notation for 9-methylidene-N-phenylxanthen-4-amine?
The canonical SMILES for 9-methylidene-N-phenylxanthen-4-amine is C=C1c2ccccc2Oc2c(Nc3ccccc3)cccc21.
What is the InChIKey of 9-methylidene-N-phenylxanthen-4-amine?
The InChIKey is JHQKPQZKLFPRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO/c1-14-16-10-5-6-13-19(16)22-20-17(14)11-7-12-18(20)21-15-8-3-2-4-9-15/h2-13,21H,1H2.
What are the key properties of 9-methylidene-N-phenylxanthen-4-amine?
9-methylidene-N-phenylxanthen-4-amine has a molecular weight of 285.35 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylidene-N-phenylxanthen-4-amine is sourced from PubChem (CID 88999352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).