4-(1,10-phenanthrolin-2-ylamino)benzonitrile

C19H12N4 — CID 166633042

IUPAC4-(1,10-phenanthrolin-2-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2ccc3ccc4cccnc4c3n2)cc1
InChIInChI=1S/C19H12N4/c20-12-13-3-8-16(9-4-13)22-17-10-7-15-6-5-14-2-1-11-21-18(14)19(15)23-17/h1-11H,(H,22,23)
InChIKeyTZSYURVANJBZCA-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.40
Rot. Bonds2

About 4-(1,10-phenanthrolin-2-ylamino)benzonitrile

4-(1,10-phenanthrolin-2-ylamino)benzonitrile (PubChem CID 166633042) has the molecular formula C19H12N4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-(1,10-phenanthrolin-2-ylamino)benzonitrile.

Molecular Properties

Compound Name4-(1,10-phenanthrolin-2-ylamino)benzonitrile
PubChem CID166633042
Molecular FormulaC19H12N4
Molecular Weight296.33 g/mol
Exact Mass296.11
IUPAC Name4-(1,10-phenanthrolin-2-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2ccc3ccc4cccnc4c3n2)cc1
InChIInChI=1S/C19H12N4/c20-12-13-3-8-16(9-4-13)22-17-10-7-15-6-5-14-2-1-11-21-18(14)19(15)23-17/h1-11H,(H,22,23)
InChIKeyTZSYURVANJBZCA-UHFFFAOYSA-N
XLogP4.40
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-1,10-phenanthrolin-2-amine
CID 132850503
N-chloro-1,10-phenanthrolin-2-amine
CID 90121840
4-[4-[4,6-bis[4-(1,10-phenanthrolin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 137489964
4-(pyridazin-3-ylamino)benzonitrile
CID 10797938
6-(quinolin-6-ylamino)pyridine-3-carbonitrile
CID 62634612
4-[3-[3-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 146654295
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
bis(1,10-phenanthroline);ruthenium
CID 15001085

Frequently Asked Questions

What is the IUPAC name of 4-(1,10-phenanthrolin-2-ylamino)benzonitrile?
The IUPAC name of 4-(1,10-phenanthrolin-2-ylamino)benzonitrile (CID 166633042) is 4-(1,10-phenanthrolin-2-ylamino)benzonitrile.
What is the SMILES notation for 4-(1,10-phenanthrolin-2-ylamino)benzonitrile?
The canonical SMILES for 4-(1,10-phenanthrolin-2-ylamino)benzonitrile is N#Cc1ccc(Nc2ccc3ccc4cccnc4c3n2)cc1.
What is the InChIKey of 4-(1,10-phenanthrolin-2-ylamino)benzonitrile?
The InChIKey is TZSYURVANJBZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4/c20-12-13-3-8-16(9-4-13)22-17-10-7-15-6-5-14-2-1-11-21-18(14)19(15)23-17/h1-11H,(H,22,23).
What are the key properties of 4-(1,10-phenanthrolin-2-ylamino)benzonitrile?
4-(1,10-phenanthrolin-2-ylamino)benzonitrile has a molecular weight of 296.33 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,10-phenanthrolin-2-ylamino)benzonitrile is sourced from PubChem (CID 166633042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).