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

C21H15BrN4 — CID 155810163

IUPAC11-(3-bromophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine
SMILESNc1nc2c(c3cnccc13)C(c1cccc(Br)c1)Cc1cnccc1-2
InChIInChI=1S/C21H15BrN4/c22-14-3-1-2-12(8-14)17-9-13-10-24-6-4-15(13)20-19(17)18-11-25-7-5-16(18)21(23)26-20/h1-8,10-11,17H,9H2,(H2,23,26)
InChIKeyLIRYCWARRXNXFD-UHFFFAOYSA-N
MW403.28 g/mol
LogP4.72
Rot. Bonds1

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

11-(3-bromophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine (PubChem CID 155810163) has the molecular formula C21H15BrN4 and a molecular weight of 403.28 g/mol. Its IUPAC name is 11-(3-bromophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine.

Molecular Properties

Compound Name11-(3-bromophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine
PubChem CID155810163
Molecular FormulaC21H15BrN4
Molecular Weight403.28 g/mol
Exact Mass402.05
IUPAC Name11-(3-bromophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine
SMILESNc1nc2c(c3cnccc13)C(c1cccc(Br)c1)Cc1cnccc1-2
InChIInChI=1S/C21H15BrN4/c22-14-3-1-2-12(8-14)17-9-13-10-24-6-4-15(13)20-19(17)18-11-25-7-5-16(18)21(23)26-20/h1-8,10-11,17H,9H2,(H2,23,26)
InChIKeyLIRYCWARRXNXFD-UHFFFAOYSA-N
XLogP4.72
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-(3-bromophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine?
The IUPAC name of 11-(3-bromophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine (CID 155810163) is 11-(3-bromophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine.
What is the SMILES notation for 11-(3-bromophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine?
The canonical SMILES for 11-(3-bromophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine is Nc1nc2c(c3cnccc13)C(c1cccc(Br)c1)Cc1cnccc1-2.
What is the InChIKey of 11-(3-bromophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine?
The InChIKey is LIRYCWARRXNXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN4/c22-14-3-1-2-12(8-14)17-9-13-10-24-6-4-15(13)20-19(17)18-11-25-7-5-16(18)21(23)26-20/h1-8,10-11,17H,9H2,(H2,23,26).
What are the key properties of 11-(3-bromophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine?
11-(3-bromophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine has a molecular weight of 403.28 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-bromophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine is sourced from PubChem (CID 155810163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).