9-N,10-N-diphenylanthracene-9,10-diamine

C26H20N2 — CID 4645692

IUPAC9-N,10-N-diphenylanthracene-9,10-diamine
SMILESc1ccc(Nc2c3ccccc3c(Nc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C26H20N2/c1-3-11-19(12-4-1)27-25-21-15-7-9-17-23(21)26(24-18-10-8-16-22(24)25)28-20-13-5-2-6-14-20/h1-18,27-28H
InChIKeyVIFUTGPSFHEVLJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP7.48
Rot. Bonds4

About 9-N,10-N-diphenylanthracene-9,10-diamine

9-N,10-N-diphenylanthracene-9,10-diamine (PubChem CID 4645692) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 9-N,10-N-diphenylanthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-diphenylanthracene-9,10-diamine
PubChem CID4645692
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name9-N,10-N-diphenylanthracene-9,10-diamine
SMILESc1ccc(Nc2c3ccccc3c(Nc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C26H20N2/c1-3-11-19(12-4-1)27-25-21-15-7-9-17-23(21)26(24-18-10-8-16-22(24)25)28-20-13-5-2-6-14-20/h1-18,27-28H
InChIKeyVIFUTGPSFHEVLJ-UHFFFAOYSA-N
XLogP7.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', '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 9-N,10-N-diphenylanthracene-9,10-diamine?
The IUPAC name of 9-N,10-N-diphenylanthracene-9,10-diamine (CID 4645692) is 9-N,10-N-diphenylanthracene-9,10-diamine.
What is the SMILES notation for 9-N,10-N-diphenylanthracene-9,10-diamine?
The canonical SMILES for 9-N,10-N-diphenylanthracene-9,10-diamine is c1ccc(Nc2c3ccccc3c(Nc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 9-N,10-N-diphenylanthracene-9,10-diamine?
The InChIKey is VIFUTGPSFHEVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2/c1-3-11-19(12-4-1)27-25-21-15-7-9-17-23(21)26(24-18-10-8-16-22(24)25)28-20-13-5-2-6-14-20/h1-18,27-28H.
What are the key properties of 9-N,10-N-diphenylanthracene-9,10-diamine?
9-N,10-N-diphenylanthracene-9,10-diamine has a molecular weight of 360.46 g/mol, XLogP of 7.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,10-N-diphenylanthracene-9,10-diamine is sourced from PubChem (CID 4645692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).