11-(3,4-dichlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine

C21H14Cl2N4 — CID 155812036

IUPAC11-(3,4-dichlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine
SMILESNc1nc2c(c3cnccc13)C(c1ccc(Cl)c(Cl)c1)Cc1cnccc1-2
InChIInChI=1S/C21H14Cl2N4/c22-17-2-1-11(8-18(17)23)15-7-12-9-25-5-3-13(12)20-19(15)16-10-26-6-4-14(16)21(24)27-20/h1-6,8-10,15H,7H2,(H2,24,27)
InChIKeyYURWFEUKIWRRBK-UHFFFAOYSA-N
MW393.28 g/mol
LogP5.27
Rot. Bonds1

About 11-(3,4-dichlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine

11-(3,4-dichlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine (PubChem CID 155812036) has the molecular formula C21H14Cl2N4 and a molecular weight of 393.28 g/mol. Its IUPAC name is 11-(3,4-dichlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine.

Molecular Properties

Compound Name11-(3,4-dichlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine
PubChem CID155812036
Molecular FormulaC21H14Cl2N4
Molecular Weight393.28 g/mol
Exact Mass392.06
IUPAC Name11-(3,4-dichlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine
SMILESNc1nc2c(c3cnccc13)C(c1ccc(Cl)c(Cl)c1)Cc1cnccc1-2
InChIInChI=1S/C21H14Cl2N4/c22-17-2-1-11(8-18(17)23)15-7-12-9-25-5-3-13(12)20-19(15)16-10-26-6-4-14(16)21(24)27-20/h1-6,8-10,15H,7H2,(H2,24,27)
InChIKeyYURWFEUKIWRRBK-UHFFFAOYSA-N
XLogP5.27
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.28
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-(3,4-dichlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine?
The IUPAC name of 11-(3,4-dichlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine (CID 155812036) is 11-(3,4-dichlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine.
What is the SMILES notation for 11-(3,4-dichlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine?
The canonical SMILES for 11-(3,4-dichlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine is Nc1nc2c(c3cnccc13)C(c1ccc(Cl)c(Cl)c1)Cc1cnccc1-2.
What is the InChIKey of 11-(3,4-dichlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine?
The InChIKey is YURWFEUKIWRRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N4/c22-17-2-1-11(8-18(17)23)15-7-12-9-25-5-3-13(12)20-19(15)16-10-26-6-4-14(16)21(24)27-20/h1-6,8-10,15H,7H2,(H2,24,27).
What are the key properties of 11-(3,4-dichlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine?
11-(3,4-dichlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine has a molecular weight of 393.28 g/mol, XLogP of 5.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3,4-dichlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine is sourced from PubChem (CID 155812036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).