3-phenanthridin-6-ylbenzene-1,2-diamine

C19H15N3 — CID 68807409

IUPAC3-phenanthridin-6-ylbenzene-1,2-diamine
SMILESNc1cccc(-c2nc3ccccc3c3ccccc23)c1N
InChIInChI=1S/C19H15N3/c20-16-10-5-9-15(18(16)21)19-14-8-2-1-6-12(14)13-7-3-4-11-17(13)22-19/h1-11H,20-21H2
InChIKeyQXIYXTNHCMRZPT-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.22
Rot. Bonds1

About 3-phenanthridin-6-ylbenzene-1,2-diamine

3-phenanthridin-6-ylbenzene-1,2-diamine (PubChem CID 68807409) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-phenanthridin-6-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-phenanthridin-6-ylbenzene-1,2-diamine
PubChem CID68807409
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name3-phenanthridin-6-ylbenzene-1,2-diamine
SMILESNc1cccc(-c2nc3ccccc3c3ccccc23)c1N
InChIInChI=1S/C19H15N3/c20-16-10-5-9-15(18(16)21)19-14-8-2-1-6-12(14)13-7-3-4-11-17(13)22-19/h1-11H,20-21H2
InChIKeyQXIYXTNHCMRZPT-UHFFFAOYSA-N
XLogP4.22
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acridin-9-amine;λ2-plumbane
CID 173496858
1-phenanthridin-6-ylphenanthridine
CID 174646632
3-phenylbenzene-1,2-diamine
CID 18968019
(4-phenanthridin-6-ylphenyl)methanamine
CID 174909278
3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine
CID 121301760
6-[4-(bromomethyl)naphthalen-1-yl]phenanthridine
CID 142679298
6-(10,10-dimethylindeno[1,2-b][1]benzothiol-4-yl)phenanthridine
CID 168815594
2-(4-ethyl-3-methylquinolin-2-yl)aniline
CID 134843455
3-[2-(2,3-diaminophenyl)-3-pyridinyl]benzene-1,2-diamine
CID 68582766
6-(4-methylphenyl)phenanthridine
CID 10707098
4'-methylspiro[chromeno[4,3-b]quinoline-6,1'-cyclohexane]-7-amine
CID 132916567
2-fluoro-3-methylquinolin-4-amine
CID 141294686

Frequently Asked Questions

What is the IUPAC name of 3-phenanthridin-6-ylbenzene-1,2-diamine?
The IUPAC name of 3-phenanthridin-6-ylbenzene-1,2-diamine (CID 68807409) is 3-phenanthridin-6-ylbenzene-1,2-diamine.
What is the SMILES notation for 3-phenanthridin-6-ylbenzene-1,2-diamine?
The canonical SMILES for 3-phenanthridin-6-ylbenzene-1,2-diamine is Nc1cccc(-c2nc3ccccc3c3ccccc23)c1N.
What is the InChIKey of 3-phenanthridin-6-ylbenzene-1,2-diamine?
The InChIKey is QXIYXTNHCMRZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c20-16-10-5-9-15(18(16)21)19-14-8-2-1-6-12(14)13-7-3-4-11-17(13)22-19/h1-11H,20-21H2.
What are the key properties of 3-phenanthridin-6-ylbenzene-1,2-diamine?
3-phenanthridin-6-ylbenzene-1,2-diamine has a molecular weight of 285.35 g/mol, XLogP of 4.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenanthridin-6-ylbenzene-1,2-diamine is sourced from PubChem (CID 68807409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).