5-phenylselanyl-1,10-phenanthroline

C18H12N2Se — CID 138964900

IUPAC5-phenylselanyl-1,10-phenanthroline
SMILESc1ccc([Se]c2cc3cccnc3c3ncccc23)cc1
InChIInChI=1S/C18H12N2Se/c1-2-7-14(8-3-1)21-16-12-13-6-4-10-19-17(13)18-15(16)9-5-11-20-18/h1-12H
InChIKeyKZGIVARYUJMSAS-UHFFFAOYSA-N
MW335.27 g/mol
LogP2.44
Rot. Bonds2

About 5-phenylselanyl-1,10-phenanthroline

5-phenylselanyl-1,10-phenanthroline (PubChem CID 138964900) has the molecular formula C18H12N2Se and a molecular weight of 335.27 g/mol. Its IUPAC name is 5-phenylselanyl-1,10-phenanthroline.

Molecular Properties

Compound Name5-phenylselanyl-1,10-phenanthroline
PubChem CID138964900
Molecular FormulaC18H12N2Se
Molecular Weight335.27 g/mol
Exact Mass336.02
IUPAC Name5-phenylselanyl-1,10-phenanthroline
SMILESc1ccc([Se]c2cc3cccnc3c3ncccc23)cc1
InChIInChI=1S/C18H12N2Se/c1-2-7-14(8-3-1)21-16-12-13-6-4-10-19-17(13)18-15(16)9-5-11-20-18/h1-12H
InChIKeyKZGIVARYUJMSAS-UHFFFAOYSA-N
XLogP2.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

naphtho[2,3-f][1,10]phenanthroline
CID 15381524
1,10-phenanthrolin-5-yl(triphenyl)boranuide
CID 58963801
iron;tris(1,10-phenanthrolin-5-amine)
CID 67973166
5-ethynyl-1,10-phenanthroline
CID 10703368
4,10,13,19,23,29,32,38-octazanonacyclo[20.16.0.03,20.05,18.06,11.012,17.024,37.025,30.031,36]octatriaconta-1(22),2,4,6(11),7,9,12(17),13,15,18,20,23,25(30),26,28,31(36),32,34,37-nonadecaene;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrachloride
CID 71762373
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
1-phenylselanylnaphthalene
CID 11196823
5-[3-[4,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]-5-(1,10-phenanthrolin-5-yl)phenyl]-1,10-phenanthroline
CID 153466323
benzo[g]quinolin-10-amine
CID 23616349
5-[bis(1,10-phenanthrolin-5-yl)phosphoryl]-1,10-phenanthroline
CID 88535892
5-[4-[3,5-bis[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 121460993
azanide;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;ruthenium
CID 164779457

Frequently Asked Questions

What is the IUPAC name of 5-phenylselanyl-1,10-phenanthroline?
The IUPAC name of 5-phenylselanyl-1,10-phenanthroline (CID 138964900) is 5-phenylselanyl-1,10-phenanthroline.
What is the SMILES notation for 5-phenylselanyl-1,10-phenanthroline?
The canonical SMILES for 5-phenylselanyl-1,10-phenanthroline is c1ccc([Se]c2cc3cccnc3c3ncccc23)cc1.
What is the InChIKey of 5-phenylselanyl-1,10-phenanthroline?
The InChIKey is KZGIVARYUJMSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2Se/c1-2-7-14(8-3-1)21-16-12-13-6-4-10-19-17(13)18-15(16)9-5-11-20-18/h1-12H.
What are the key properties of 5-phenylselanyl-1,10-phenanthroline?
5-phenylselanyl-1,10-phenanthroline has a molecular weight of 335.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylselanyl-1,10-phenanthroline is sourced from PubChem (CID 138964900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).