rubicene-5,12-diamine

C26H16N2 — CID 15635222

IUPACrubicene-5,12-diamine
SMILESNc1ccc2c(c1)c1cccc3c1c2c1cccc2c4cc(N)ccc4c3c21
InChIInChI=1S/C26H16N2/c27-13-7-9-17-21(11-13)15-3-1-5-19-23(15)26(17)20-6-2-4-16-22-12-14(28)8-10-18(22)25(19)24(16)20/h1-12H,27-28H2
InChIKeyVWIRRZRXGUJTPD-UHFFFAOYSA-N
MW356.43 g/mol
LogP6.65
Rot. Bonds

About rubicene-5,12-diamine

rubicene-5,12-diamine (PubChem CID 15635222) has the molecular formula C26H16N2 and a molecular weight of 356.43 g/mol. Its IUPAC name is rubicene-5,12-diamine.

Molecular Properties

Compound Namerubicene-5,12-diamine
PubChem CID15635222
Molecular FormulaC26H16N2
Molecular Weight356.43 g/mol
Exact Mass356.13
IUPAC Namerubicene-5,12-diamine
SMILESNc1ccc2c(c1)c1cccc3c1c2c1cccc2c4cc(N)ccc4c3c21
InChIInChI=1S/C26H16N2/c27-13-7-9-17-21(11-13)15-3-1-5-19-23(15)26(17)20-6-2-4-16-22-12-14(28)8-10-18(22)25(19)24(16)20/h1-12H,27-28H2
InChIKeyVWIRRZRXGUJTPD-UHFFFAOYSA-N
XLogP6.65
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 rubicene-5,12-diamine?
The IUPAC name of rubicene-5,12-diamine (CID 15635222) is rubicene-5,12-diamine.
What is the SMILES notation for rubicene-5,12-diamine?
The canonical SMILES for rubicene-5,12-diamine is Nc1ccc2c(c1)c1cccc3c1c2c1cccc2c4cc(N)ccc4c3c21.
What is the InChIKey of rubicene-5,12-diamine?
The InChIKey is VWIRRZRXGUJTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2/c27-13-7-9-17-21(11-13)15-3-1-5-19-23(15)26(17)20-6-2-4-16-22-12-14(28)8-10-18(22)25(19)24(16)20/h1-12H,27-28H2.
What are the key properties of rubicene-5,12-diamine?
rubicene-5,12-diamine has a molecular weight of 356.43 g/mol, XLogP of 6.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for rubicene-5,12-diamine is sourced from PubChem (CID 15635222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).