N,N-diphenylanthracen-9-amine

C26H19N — CID 14746725

IUPACN,N-diphenylanthracen-9-amine
SMILESc1ccc(N(c2ccccc2)c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C26H19N/c1-3-13-22(14-4-1)27(23-15-5-2-6-16-23)26-24-17-9-7-11-20(24)19-21-12-8-10-18-25(21)26/h1-19H
InChIKeyLUGOYHPSACYLRM-UHFFFAOYSA-N
MW345.45 g/mol
LogP7.46
Rot. Bonds3

About N,N-diphenylanthracen-9-amine

N,N-diphenylanthracen-9-amine (PubChem CID 14746725) has the molecular formula C26H19N and a molecular weight of 345.45 g/mol. Its IUPAC name is N,N-diphenylanthracen-9-amine.

Molecular Properties

Compound NameN,N-diphenylanthracen-9-amine
PubChem CID14746725
Molecular FormulaC26H19N
Molecular Weight345.45 g/mol
Exact Mass345.15
IUPAC NameN,N-diphenylanthracen-9-amine
SMILESc1ccc(N(c2ccccc2)c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C26H19N/c1-3-13-22(14-4-1)27(23-15-5-2-6-16-23)26-24-17-9-7-11-20(24)19-21-12-8-10-18-25(21)26/h1-19H
InChIKeyLUGOYHPSACYLRM-UHFFFAOYSA-N
XLogP7.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenylanthracen-9-amine?
The IUPAC name of N,N-diphenylanthracen-9-amine (CID 14746725) is N,N-diphenylanthracen-9-amine.
What is the SMILES notation for N,N-diphenylanthracen-9-amine?
The canonical SMILES for N,N-diphenylanthracen-9-amine is c1ccc(N(c2ccccc2)c2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of N,N-diphenylanthracen-9-amine?
The InChIKey is LUGOYHPSACYLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N/c1-3-13-22(14-4-1)27(23-15-5-2-6-16-23)26-24-17-9-7-11-20(24)19-21-12-8-10-18-25(21)26/h1-19H.
What are the key properties of N,N-diphenylanthracen-9-amine?
N,N-diphenylanthracen-9-amine has a molecular weight of 345.45 g/mol, XLogP of 7.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenylanthracen-9-amine is sourced from PubChem (CID 14746725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).