2-[9,10-bis(trideuteriomethyl)phenanthren-2-yl]-4-propan-2-ylpyridine

C24H23N — CID 164792192

IUPAC2-[9,10-bis(trideuteriomethyl)phenanthren-2-yl]-4-propan-2-ylpyridine
SMILES[2H]C([2H])([2H])c1c(C([2H])([2H])[2H])c2cc(-c3cc(C(C)C)ccn3)ccc2c2ccccc12
InChIInChI=1S/C24H23N/c1-15(2)18-11-12-25-24(14-18)19-9-10-22-21-8-6-5-7-20(21)16(3)17(4)23(22)13-19/h5-15H,1-4H3/i3D3,4D3
InChIKeyPNALDKWYRZCNJM-LIJFRPJRSA-N
MW331.49 g/mol
LogP6.80
Rot. Bonds4

About 2-[9,10-bis(trideuteriomethyl)phenanthren-2-yl]-4-propan-2-ylpyridine

2-[9,10-bis(trideuteriomethyl)phenanthren-2-yl]-4-propan-2-ylpyridine (PubChem CID 164792192) has the molecular formula C24H23N and a molecular weight of 331.49 g/mol. Its IUPAC name is 2-[9,10-bis(trideuteriomethyl)phenanthren-2-yl]-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-[9,10-bis(trideuteriomethyl)phenanthren-2-yl]-4-propan-2-ylpyridine
PubChem CID164792192
Molecular FormulaC24H23N
Molecular Weight331.49 g/mol
Exact Mass331.22
IUPAC Name2-[9,10-bis(trideuteriomethyl)phenanthren-2-yl]-4-propan-2-ylpyridine
SMILES[2H]C([2H])([2H])c1c(C([2H])([2H])[2H])c2cc(-c3cc(C(C)C)ccn3)ccc2c2ccccc12
InChIInChI=1S/C24H23N/c1-15(2)18-11-12-25-24(14-18)19-9-10-22-21-8-6-5-7-20(21)16(3)17(4)23(22)13-19/h5-15H,1-4H3/i3D3,4D3
InChIKeyPNALDKWYRZCNJM-LIJFRPJRSA-N
XLogP6.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.49
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine
CID 164792300
4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine
CID 162708702
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
2-[9,10-bis(trideuteriomethyl)-3H-phenanthren-3-id-2-yl]-4-(2-deuteriopropan-2-yl)pyridine;iridium;2-phenylpyridine
CID 164792174
2-[7-(4-fluorophenyl)-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166576213
2-(3-bromophenyl)-4-propan-2-ylpyridine
CID 118651864
2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine
CID 166578354
2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166577199
9,10-dimethyl-2-propan-2-ylphenanthrene
CID 140734876
4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155611009
2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine
CID 166576650
trimethyl-[8-(4-propan-2-yl-2-pyridinyl)dibenzothiophen-2-yl]germane
CID 164832484

Frequently Asked Questions

What is the IUPAC name of 2-[9,10-bis(trideuteriomethyl)phenanthren-2-yl]-4-propan-2-ylpyridine?
The IUPAC name of 2-[9,10-bis(trideuteriomethyl)phenanthren-2-yl]-4-propan-2-ylpyridine (CID 164792192) is 2-[9,10-bis(trideuteriomethyl)phenanthren-2-yl]-4-propan-2-ylpyridine.
What is the SMILES notation for 2-[9,10-bis(trideuteriomethyl)phenanthren-2-yl]-4-propan-2-ylpyridine?
The canonical SMILES for 2-[9,10-bis(trideuteriomethyl)phenanthren-2-yl]-4-propan-2-ylpyridine is [2H]C([2H])([2H])c1c(C([2H])([2H])[2H])c2cc(-c3cc(C(C)C)ccn3)ccc2c2ccccc12.
What is the InChIKey of 2-[9,10-bis(trideuteriomethyl)phenanthren-2-yl]-4-propan-2-ylpyridine?
The InChIKey is PNALDKWYRZCNJM-LIJFRPJRSA-N. The full InChI is InChI=1S/C24H23N/c1-15(2)18-11-12-25-24(14-18)19-9-10-22-21-8-6-5-7-20(21)16(3)17(4)23(22)13-19/h5-15H,1-4H3/i3D3,4D3.
What are the key properties of 2-[9,10-bis(trideuteriomethyl)phenanthren-2-yl]-4-propan-2-ylpyridine?
2-[9,10-bis(trideuteriomethyl)phenanthren-2-yl]-4-propan-2-ylpyridine has a molecular weight of 331.49 g/mol, XLogP of 6.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,10-bis(trideuteriomethyl)phenanthren-2-yl]-4-propan-2-ylpyridine is sourced from PubChem (CID 164792192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).