2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole

C19H13N3 — CID 11346618

IUPAC2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole
SMILESc1c[nH]c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1
InChIInChI=1S/C19H13N3/c1-3-8-14-12(6-1)13-7-2-4-9-15(13)18-17(14)21-19(22-18)16-10-5-11-20-16/h1-11,20H,(H,21,22)
InChIKeyWOEMOHREPZXVGB-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.86
Rot. Bonds1

About 2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole

2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole (PubChem CID 11346618) has the molecular formula C19H13N3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole
PubChem CID11346618
Molecular FormulaC19H13N3
Molecular Weight283.33 g/mol
Exact Mass283.11
IUPAC Name2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole
SMILESc1c[nH]c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1
InChIInChI=1S/C19H13N3/c1-3-8-14-12(6-1)13-7-2-4-9-15(13)18-17(14)21-19(22-18)16-10-5-11-20-16/h1-11,20H,(H,21,22)
InChIKeyWOEMOHREPZXVGB-UHFFFAOYSA-N
XLogP4.86
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole?
The IUPAC name of 2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole (CID 11346618) is 2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole is c1c[nH]c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1.
What is the InChIKey of 2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole?
The InChIKey is WOEMOHREPZXVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3/c1-3-8-14-12(6-1)13-7-2-4-9-15(13)18-17(14)21-19(22-18)16-10-5-11-20-16/h1-11,20H,(H,21,22).
What are the key properties of 2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole?
2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole has a molecular weight of 283.33 g/mol, XLogP of 4.86, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 11346618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).