4-chloro-7-phenyl-1,10-phenanthroline

C18H11ClN2 — CID 171832712

IUPAC4-chloro-7-phenyl-1,10-phenanthroline
SMILESClc1ccnc2c1ccc1c(-c3ccccc3)ccnc12
InChIInChI=1S/C18H11ClN2/c19-16-9-11-21-18-15(16)7-6-14-13(8-10-20-17(14)18)12-4-2-1-3-5-12/h1-11H
InChIKeyVWQKSRULZBLCEM-UHFFFAOYSA-N
MW290.75 g/mol
LogP5.10
Rot. Bonds1

About 4-chloro-7-phenyl-1,10-phenanthroline

4-chloro-7-phenyl-1,10-phenanthroline (PubChem CID 171832712) has the molecular formula C18H11ClN2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-7-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name4-chloro-7-phenyl-1,10-phenanthroline
PubChem CID171832712
Molecular FormulaC18H11ClN2
Molecular Weight290.75 g/mol
Exact Mass290.06
IUPAC Name4-chloro-7-phenyl-1,10-phenanthroline
SMILESClc1ccnc2c1ccc1c(-c3ccccc3)ccnc12
InChIInChI=1S/C18H11ClN2/c19-16-9-11-21-18-15(16)7-6-14-13(8-10-20-17(14)18)12-4-2-1-3-5-12/h1-11H
InChIKeyVWQKSRULZBLCEM-UHFFFAOYSA-N
XLogP5.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.75
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-chloro-7-phenyl-1,10-phenanthroline?
The IUPAC name of 4-chloro-7-phenyl-1,10-phenanthroline (CID 171832712) is 4-chloro-7-phenyl-1,10-phenanthroline.
What is the SMILES notation for 4-chloro-7-phenyl-1,10-phenanthroline?
The canonical SMILES for 4-chloro-7-phenyl-1,10-phenanthroline is Clc1ccnc2c1ccc1c(-c3ccccc3)ccnc12.
What is the InChIKey of 4-chloro-7-phenyl-1,10-phenanthroline?
The InChIKey is VWQKSRULZBLCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2/c19-16-9-11-21-18-15(16)7-6-14-13(8-10-20-17(14)18)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 4-chloro-7-phenyl-1,10-phenanthroline?
4-chloro-7-phenyl-1,10-phenanthroline has a molecular weight of 290.75 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-phenyl-1,10-phenanthroline is sourced from PubChem (CID 171832712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).