3-(2-ethyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)imidazo[1,2-f]phenanthridine

C27H26N2 — CID 161122785

IUPAC3-(2-ethyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)imidazo[1,2-f]phenanthridine
SMILES[2H]C([2H])([2H])c1nc2c3ccccc3c3ccccc3n2c1-c1c(CC)cccc1C(C)C
InChIInChI=1S/C27H26N2/c1-5-19-11-10-15-20(17(2)3)25(19)26-18(4)28-27-23-14-7-6-12-21(23)22-13-8-9-16-24(22)29(26)27/h6-17H,5H2,1-4H3/i4D3
InChIKeyNGBIUEKMACYPBA-GKOSEXJESA-N
MW381.54 g/mol
LogP7.30
Rot. Bonds4

About 3-(2-ethyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)imidazo[1,2-f]phenanthridine

3-(2-ethyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)imidazo[1,2-f]phenanthridine (PubChem CID 161122785) has the molecular formula C27H26N2 and a molecular weight of 381.54 g/mol. Its IUPAC name is 3-(2-ethyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)imidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name3-(2-ethyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)imidazo[1,2-f]phenanthridine
PubChem CID161122785
Molecular FormulaC27H26N2
Molecular Weight381.54 g/mol
Exact Mass381.23
IUPAC Name3-(2-ethyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)imidazo[1,2-f]phenanthridine
SMILES[2H]C([2H])([2H])c1nc2c3ccccc3c3ccccc3n2c1-c1c(CC)cccc1C(C)C
InChIInChI=1S/C27H26N2/c1-5-19-11-10-15-20(17(2)3)25(19)26-18(4)28-27-23-14-7-6-12-21(23)22-13-8-9-16-24(22)29(26)27/h6-17H,5H2,1-4H3/i4D3
InChIKeyNGBIUEKMACYPBA-GKOSEXJESA-N
XLogP7.30
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.54
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-ethyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)imidazo[1,2-f]phenanthridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazo[1,2-f]phenanthridine;ethane;propane
CID 144979771
2-methyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 59358732
3-[2,6-bis(2-methylpropyl)phenyl]-2-(2-phenylpropan-2-yl)imidazo[1,2-f]phenanthridine
CID 140760569
9-propan-2-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 123182540
9-ethyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 118440323
3-[2-(2-deuterio-2-methylpropyl)-6-(2,3,3,3-tetradeuterio-2-methylpropyl)phenyl]imidazo[1,2-f]phenanthridine
CID 157249771
3-[2,6-bis(2-methylpropyl)phenyl]-12-propan-2-ylimidazo[1,2-f]phenanthridine;ethane
CID 145008568
3-(2,6-diethylphenyl)-2,5,13,20-tetrazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(20),3,5,7,9,11,14,16,18-nonaene
CID 140949690
23-[2,6-di(propan-2-yl)phenyl]-20-oxa-2,9-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,21(26),22,24,27-tridecaene
CID 176752917
3-[2,6-di(propan-2-yl)phenyl]-11-[(6-phenoxy-2-pyridinyl)oxy]imidazo[1,2-f]phenanthridine
CID 140593578
1-propan-2-ylphenanthrene
CID 12628671
23-(2,6-diethylphenyl)-22,25-diazahexacyclo[12.11.0.03,12.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene
CID 140948716

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)imidazo[1,2-f]phenanthridine?
The IUPAC name of 3-(2-ethyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)imidazo[1,2-f]phenanthridine (CID 161122785) is 3-(2-ethyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)imidazo[1,2-f]phenanthridine.
What is the SMILES notation for 3-(2-ethyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)imidazo[1,2-f]phenanthridine?
The canonical SMILES for 3-(2-ethyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)imidazo[1,2-f]phenanthridine is [2H]C([2H])([2H])c1nc2c3ccccc3c3ccccc3n2c1-c1c(CC)cccc1C(C)C.
What is the InChIKey of 3-(2-ethyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)imidazo[1,2-f]phenanthridine?
The InChIKey is NGBIUEKMACYPBA-GKOSEXJESA-N. The full InChI is InChI=1S/C27H26N2/c1-5-19-11-10-15-20(17(2)3)25(19)26-18(4)28-27-23-14-7-6-12-21(23)22-13-8-9-16-24(22)29(26)27/h6-17H,5H2,1-4H3/i4D3.
What are the key properties of 3-(2-ethyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)imidazo[1,2-f]phenanthridine?
3-(2-ethyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)imidazo[1,2-f]phenanthridine has a molecular weight of 381.54 g/mol, XLogP of 7.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 161122785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).