benzo[b][1,7]phenanthrolin-10-amine

C16H11N3 — CID 10332108

IUPACbenzo[b][1,7]phenanthrolin-10-amine
SMILESNc1ccc2cc3ccc4ncccc4c3nc2c1
InChIInChI=1S/C16H11N3/c17-12-5-3-10-8-11-4-6-14-13(2-1-7-18-14)16(11)19-15(10)9-12/h1-9H,17H2
InChIKeyFLQAOBBPUNPVJK-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.52
Rot. Bonds

About benzo[b][1,7]phenanthrolin-10-amine

benzo[b][1,7]phenanthrolin-10-amine (PubChem CID 10332108) has the molecular formula C16H11N3 and a molecular weight of 245.29 g/mol. Its IUPAC name is benzo[b][1,7]phenanthrolin-10-amine.

Molecular Properties

Compound Namebenzo[b][1,7]phenanthrolin-10-amine
PubChem CID10332108
Molecular FormulaC16H11N3
Molecular Weight245.29 g/mol
Exact Mass245.10
IUPAC Namebenzo[b][1,7]phenanthrolin-10-amine
SMILESNc1ccc2cc3ccc4ncccc4c3nc2c1
InChIInChI=1S/C16H11N3/c17-12-5-3-10-8-11-4-6-14-13(2-1-7-18-14)16(11)19-15(10)9-12/h1-9H,17H2
InChIKeyFLQAOBBPUNPVJK-UHFFFAOYSA-N
XLogP3.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1,7-phenanthrolin-2-amine
CID 63231728
1,7-phenanthrolin-2-amine;bis(2-pyridin-2-ylpyridine)
CID 175508465
1,7-phenanthroline;vanadium
CID 174318955
1,7-phenanthroline;dihydrochloride
CID 174688507
N-benzo[b][1,7]phenanthrolin-10-yl-4-methylbenzenesulfonamide
CID 11133109
acridine;acridine-3,6-diamine
CID 21276006
methanol;1,7-phenanthroline
CID 174496893
2,3-diphenyl-1,7-phenanthroline;terbium
CID 174908963
2-methyl-3,7-phenanthroline
CID 129060966
2H-pyrido[2,3-h]cinnolin-3-one
CID 70280664
2-cinnolin-3-yl-1,7-phenanthroline
CID 175435696
2-(bromomethyl)-1,7-phenanthroline
CID 67733291

Frequently Asked Questions

What is the IUPAC name of benzo[b][1,7]phenanthrolin-10-amine?
The IUPAC name of benzo[b][1,7]phenanthrolin-10-amine (CID 10332108) is benzo[b][1,7]phenanthrolin-10-amine.
What is the SMILES notation for benzo[b][1,7]phenanthrolin-10-amine?
The canonical SMILES for benzo[b][1,7]phenanthrolin-10-amine is Nc1ccc2cc3ccc4ncccc4c3nc2c1.
What is the InChIKey of benzo[b][1,7]phenanthrolin-10-amine?
The InChIKey is FLQAOBBPUNPVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c17-12-5-3-10-8-11-4-6-14-13(2-1-7-18-14)16(11)19-15(10)9-12/h1-9H,17H2.
What are the key properties of benzo[b][1,7]phenanthrolin-10-amine?
benzo[b][1,7]phenanthrolin-10-amine has a molecular weight of 245.29 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[b][1,7]phenanthrolin-10-amine is sourced from PubChem (CID 10332108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).