1-triphenylen-1-ylethane-1,1-diamine

C20H18N2 — CID 175146039

IUPAC1-triphenylen-1-ylethane-1,1-diamine
SMILESCC(N)(N)c1cccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C20H18N2/c1-20(21,22)18-12-6-11-17-15-8-3-2-7-13(15)14-9-4-5-10-16(14)19(17)18/h2-12H,21-22H2,1H3
InChIKeyWIDNFHDHYXDBHE-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.24
Rot. Bonds1

About 1-triphenylen-1-ylethane-1,1-diamine

1-triphenylen-1-ylethane-1,1-diamine (PubChem CID 175146039) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-triphenylen-1-ylethane-1,1-diamine.

Molecular Properties

Compound Name1-triphenylen-1-ylethane-1,1-diamine
PubChem CID175146039
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name1-triphenylen-1-ylethane-1,1-diamine
SMILESCC(N)(N)c1cccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C20H18N2/c1-20(21,22)18-12-6-11-17-15-8-3-2-7-13(15)14-9-4-5-10-16(14)19(17)18/h2-12H,21-22H2,1H3
InChIKeyWIDNFHDHYXDBHE-UHFFFAOYSA-N
XLogP4.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-triphenylen-1-ylethane-1,1-diamine?
The IUPAC name of 1-triphenylen-1-ylethane-1,1-diamine (CID 175146039) is 1-triphenylen-1-ylethane-1,1-diamine.
What is the SMILES notation for 1-triphenylen-1-ylethane-1,1-diamine?
The canonical SMILES for 1-triphenylen-1-ylethane-1,1-diamine is CC(N)(N)c1cccc2c3ccccc3c3ccccc3c12.
What is the InChIKey of 1-triphenylen-1-ylethane-1,1-diamine?
The InChIKey is WIDNFHDHYXDBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2/c1-20(21,22)18-12-6-11-17-15-8-3-2-7-13(15)14-9-4-5-10-16(14)19(17)18/h2-12H,21-22H2,1H3.
What are the key properties of 1-triphenylen-1-ylethane-1,1-diamine?
1-triphenylen-1-ylethane-1,1-diamine has a molecular weight of 286.38 g/mol, XLogP of 4.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triphenylen-1-ylethane-1,1-diamine is sourced from PubChem (CID 175146039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).