10-phenylanthracen-9-amine

C20H15N — CID 12601740

IUPAC10-phenylanthracen-9-amine
SMILESNc1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H15N/c21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13H,21H2
InChIKeyPNQNZMGBSFKELG-UHFFFAOYSA-N
MW269.35 g/mol
LogP5.24
Rot. Bonds1

About 10-phenylanthracen-9-amine

10-phenylanthracen-9-amine (PubChem CID 12601740) has the molecular formula C20H15N and a molecular weight of 269.35 g/mol. Its IUPAC name is 10-phenylanthracen-9-amine.

Molecular Properties

Compound Name10-phenylanthracen-9-amine
PubChem CID12601740
Molecular FormulaC20H15N
Molecular Weight269.35 g/mol
Exact Mass269.12
IUPAC Name10-phenylanthracen-9-amine
SMILESNc1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H15N/c21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13H,21H2
InChIKeyPNQNZMGBSFKELG-UHFFFAOYSA-N
XLogP5.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.35
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-phenylanthracen-9-amine?
The IUPAC name of 10-phenylanthracen-9-amine (CID 12601740) is 10-phenylanthracen-9-amine.
What is the SMILES notation for 10-phenylanthracen-9-amine?
The canonical SMILES for 10-phenylanthracen-9-amine is Nc1c2ccccc2c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 10-phenylanthracen-9-amine?
The InChIKey is PNQNZMGBSFKELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N/c21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13H,21H2.
What are the key properties of 10-phenylanthracen-9-amine?
10-phenylanthracen-9-amine has a molecular weight of 269.35 g/mol, XLogP of 5.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenylanthracen-9-amine is sourced from PubChem (CID 12601740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).