phenanthridine

C13H9N — CID 9189

IUPACphenanthridine
SMILESc1ccc2c(c1)cnc1ccccc12
InChIInChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H
InChIKeyRDOWQLZANAYVLL-UHFFFAOYSA-N
MW179.22 g/mol
LogP3.39
Rot. Bonds

About phenanthridine

phenanthridine (PubChem CID 9189) has the molecular formula C13H9N and a molecular weight of 179.22 g/mol. Its IUPAC name is phenanthridine.

Molecular Properties

Compound Namephenanthridine
PubChem CID9189
Molecular FormulaC13H9N
Molecular Weight179.22 g/mol
Exact Mass179.07
IUPAC Namephenanthridine
SMILESc1ccc2c(c1)cnc1ccccc12
InChIInChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H
InChIKeyRDOWQLZANAYVLL-UHFFFAOYSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

phenanthridine;platinum(2+)
CID 23616726
10-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 15831757
phenanthridine;thiadiazole
CID 174622383
azanide;chloroplatinum;ethane-1,2-diol;methane;phenanthridine;hydrate
CID 160790715
9-methylphenanthridine
CID 10987123
2-methylphenanthridine
CID 14384826
3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine
CID 155792785
acridine;isoquinoline;phenanthridine;quinoline
CID 159436284
2,10,13,21-tetrazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 12589043
phenanthridine-1-thiol
CID 135666738
10-methylphenanthridine
CID 101052009
phenanthridine;7H-purin-6-amine
CID 90006324

Frequently Asked Questions

What is the IUPAC name of phenanthridine?
The IUPAC name of phenanthridine (CID 9189) is phenanthridine.
What is the SMILES notation for phenanthridine?
The canonical SMILES for phenanthridine is c1ccc2c(c1)cnc1ccccc12.
What is the InChIKey of phenanthridine?
The InChIKey is RDOWQLZANAYVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H.
What are the key properties of phenanthridine?
phenanthridine has a molecular weight of 179.22 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthridine is sourced from PubChem (CID 9189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).