[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanium

C26H21N2+ — CID 142145189

IUPAC[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanium
SMILES[NH3+]C(c1cccc(-c2ccccc2)n1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C26H20N2/c27-26(25-16-8-15-24(28-25)18-9-2-1-3-10-18)23-17-19-11-4-5-12-20(19)21-13-6-7-14-22(21)23/h1-17,26H,27H2/p+1
InChIKeyDZKICOYAMULRRW-UHFFFAOYSA-O
MW361.47 g/mol
LogP5.39
Rot. Bonds3

About [phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanium

[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanium (PubChem CID 142145189) has the molecular formula C26H21N2+ and a molecular weight of 361.47 g/mol. Its IUPAC name is [phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanium.

Molecular Properties

Compound Name[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanium
PubChem CID142145189
Molecular FormulaC26H21N2+
Molecular Weight361.47 g/mol
Exact Mass361.17
IUPAC Name[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanium
SMILES[NH3+]C(c1cccc(-c2ccccc2)n1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C26H20N2/c27-26(25-16-8-15-24(28-25)18-9-2-1-3-10-18)23-17-19-11-4-5-12-20(19)21-13-6-7-14-22(21)23/h1-17,26H,27H2/p+1
InChIKeyDZKICOYAMULRRW-UHFFFAOYSA-O
XLogP5.39
TPSA40.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]hept-3-en-4-amine
CID 142140466
2-(difluoromethyl)-6-phenylpyridine
CID 151332992
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine
CID 59428688
phenanthren-9-yl(pyridin-2-yl)methanol
CID 178201671
2,6-bis[3-(3-methylphenyl)phenyl]-4-phenylpyridine;2,4-bis(3-methylphenyl)-6-phenylpyridine;2,6-bis(3-methylphenyl)-4-phenylpyridine;2-(3-phenanthren-9-ylphenyl)-6-[6-(3-phenanthren-9-ylphenyl)-2-pyridinyl]pyridine;2,4,6-tris(3-methylphenyl)pyridine
CID 158324934
2-phenyl-6-[(1S)-1-pyrrolidin-1-ylethyl]pyridine
CID 11196080
5-[1-(6-phenyl-2-pyridinyl)ethyl]-1H-pyrazol-3-amine
CID 118100575
3-(6-phenyl-2-pyridinyl)-6-[6-(6-phenyl-2-pyridinyl)pyridazin-3-yl]pyridazine
CID 67041293
4-[3,5-di(phenanthren-9-yl)phenyl]-2,6-diphenylpyrimidine
CID 89416703
2-chloro-4-phenanthren-9-yl-6-phenylpyrimidine
CID 126681895
4,6-bis(3-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 89416701
9-(diphenoxymethyl)phenanthrene
CID 140773859

Frequently Asked Questions

What is the IUPAC name of [phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanium?
The IUPAC name of [phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanium (CID 142145189) is [phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanium.
What is the SMILES notation for [phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanium?
The canonical SMILES for [phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanium is [NH3+]C(c1cccc(-c2ccccc2)n1)c1cc2ccccc2c2ccccc12.
What is the InChIKey of [phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanium?
The InChIKey is DZKICOYAMULRRW-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H20N2/c27-26(25-16-8-15-24(28-25)18-9-2-1-3-10-18)23-17-19-11-4-5-12-20(19)21-13-6-7-14-22(21)23/h1-17,26H,27H2/p+1.
What are the key properties of [phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanium?
[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanium has a molecular weight of 361.47 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanium is sourced from PubChem (CID 142145189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).