5-ethynyl-1,10-phenanthroline

C14H8N2 — CID 10703368

IUPAC5-ethynyl-1,10-phenanthroline
SMILESC#Cc1cc2cccnc2c2ncccc12
InChIInChI=1S/C14H8N2/c1-2-10-9-11-5-3-7-15-13(11)14-12(10)6-4-8-16-14/h1,3-9H
InChIKeyUGLYIDJFQYFXSZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.76
Rot. Bonds

About 5-ethynyl-1,10-phenanthroline

5-ethynyl-1,10-phenanthroline (PubChem CID 10703368) has the molecular formula C14H8N2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-ethynyl-1,10-phenanthroline.

Molecular Properties

Compound Name5-ethynyl-1,10-phenanthroline
PubChem CID10703368
Molecular FormulaC14H8N2
Molecular Weight204.23 g/mol
Exact Mass204.07
IUPAC Name5-ethynyl-1,10-phenanthroline
SMILESC#Cc1cc2cccnc2c2ncccc12
InChIInChI=1S/C14H8N2/c1-2-10-9-11-5-3-7-15-13(11)14-12(10)6-4-8-16-14/h1,3-9H
InChIKeyUGLYIDJFQYFXSZ-UHFFFAOYSA-N
XLogP2.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethynylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 166691371
iron;tris(1,10-phenanthrolin-5-amine)
CID 67973166
naphtho[2,3-f][1,10]phenanthroline
CID 15381524
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
5-phenylselanyl-1,10-phenanthroline
CID 138964900
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
dichloropalladium;5-nitro-1,10-phenanthroline
CID 5030888
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
1,10-phenanthrolin-5-yl(triphenyl)boranuide
CID 58963801
benzo[g]quinolin-10-amine
CID 23616349
1,10-phenanthroline;samarium
CID 174616745

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-1,10-phenanthroline?
The IUPAC name of 5-ethynyl-1,10-phenanthroline (CID 10703368) is 5-ethynyl-1,10-phenanthroline.
What is the SMILES notation for 5-ethynyl-1,10-phenanthroline?
The canonical SMILES for 5-ethynyl-1,10-phenanthroline is C#Cc1cc2cccnc2c2ncccc12.
What is the InChIKey of 5-ethynyl-1,10-phenanthroline?
The InChIKey is UGLYIDJFQYFXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2/c1-2-10-9-11-5-3-7-15-13(11)14-12(10)6-4-8-16-14/h1,3-9H.
What are the key properties of 5-ethynyl-1,10-phenanthroline?
5-ethynyl-1,10-phenanthroline has a molecular weight of 204.23 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-1,10-phenanthroline is sourced from PubChem (CID 10703368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).