3-[2,6-bis(2-methylpropyl)phenyl]-12-butan-2-ylimidazo[1,2-f]phenanthridine

C33H38N2 — CID 144782387

IUPAC3-[2,6-bis(2-methylpropyl)phenyl]-12-butan-2-ylimidazo[1,2-f]phenanthridine
SMILESCCC(C)c1cccc2c3ccccc3n3c(-c4c(CC(C)C)cccc4CC(C)C)cnc3c12
InChIInChI=1S/C33H38N2/c1-7-23(6)26-15-11-16-28-27-14-8-9-17-29(27)35-30(20-34-33(35)32(26)28)31-24(18-21(2)3)12-10-13-25(31)19-22(4)5/h8-17,20-23H,7,18-19H2,1-6H3
InChIKeyFRXHTJWKIMLGJI-UHFFFAOYSA-N
MW462.68 g/mol
LogP9.22
Rot. Bonds7

About 3-[2,6-bis(2-methylpropyl)phenyl]-12-butan-2-ylimidazo[1,2-f]phenanthridine

3-[2,6-bis(2-methylpropyl)phenyl]-12-butan-2-ylimidazo[1,2-f]phenanthridine (PubChem CID 144782387) has the molecular formula C33H38N2 and a molecular weight of 462.68 g/mol. Its IUPAC name is 3-[2,6-bis(2-methylpropyl)phenyl]-12-butan-2-ylimidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name3-[2,6-bis(2-methylpropyl)phenyl]-12-butan-2-ylimidazo[1,2-f]phenanthridine
PubChem CID144782387
Molecular FormulaC33H38N2
Molecular Weight462.68 g/mol
Exact Mass462.30
IUPAC Name3-[2,6-bis(2-methylpropyl)phenyl]-12-butan-2-ylimidazo[1,2-f]phenanthridine
SMILESCCC(C)c1cccc2c3ccccc3n3c(-c4c(CC(C)C)cccc4CC(C)C)cnc3c12
InChIInChI=1S/C33H38N2/c1-7-23(6)26-15-11-16-28-27-14-8-9-17-29(27)35-30(20-34-33(35)32(26)28)31-24(18-21(2)3)12-10-13-25(31)19-22(4)5/h8-17,20-23H,7,18-19H2,1-6H3
InChIKeyFRXHTJWKIMLGJI-UHFFFAOYSA-N
XLogP9.22
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.68
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2,6-bis(2-methylpropyl)phenyl]-12-butan-2-ylimidazo[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

3-[2,6-bis(2-methylpropyl)phenyl]-12-propan-2-ylimidazo[1,2-f]phenanthridine;ethane
CID 145008568
3-[2,6-bis(2-methylpropyl)phenyl]imidazo[1,2-f]phenanthridine;3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 160802426
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]-1,12-dimethylimidazo[1,5-f]phenanthridine
CID 165169299
9-[2,6-bis(2-methylpropyl)phenyl]-12,13-diethyl-12,13-dimethyl-8-aza-11-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,9,11(19),14,16-octaene
CID 123808521
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
3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
CID 58162799
3-[2,6-bis(2-methylpropyl)phenyl]-2-(2-phenylpropan-2-yl)imidazo[1,2-f]phenanthridine
CID 140760569
3-[2,6-di(propan-2-yl)phenyl]-11-[[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 140593918
3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(3-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide);tris(dimethyl-phenyl-pyridin-2-ylsilane);3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(iridium);2-(phenoxy)pyridine
CID 157300432
3-(2,6-diethylphenyl)-2,5,14,16-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene
CID 140949051
3-[2,6-di(propan-2-yl)phenyl]-11-[(6-phenoxy-2-pyridinyl)oxy]imidazo[1,2-f]phenanthridine
CID 140593578

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(2-methylpropyl)phenyl]-12-butan-2-ylimidazo[1,2-f]phenanthridine?
The IUPAC name of 3-[2,6-bis(2-methylpropyl)phenyl]-12-butan-2-ylimidazo[1,2-f]phenanthridine (CID 144782387) is 3-[2,6-bis(2-methylpropyl)phenyl]-12-butan-2-ylimidazo[1,2-f]phenanthridine.
What is the SMILES notation for 3-[2,6-bis(2-methylpropyl)phenyl]-12-butan-2-ylimidazo[1,2-f]phenanthridine?
The canonical SMILES for 3-[2,6-bis(2-methylpropyl)phenyl]-12-butan-2-ylimidazo[1,2-f]phenanthridine is CCC(C)c1cccc2c3ccccc3n3c(-c4c(CC(C)C)cccc4CC(C)C)cnc3c12.
What is the InChIKey of 3-[2,6-bis(2-methylpropyl)phenyl]-12-butan-2-ylimidazo[1,2-f]phenanthridine?
The InChIKey is FRXHTJWKIMLGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2/c1-7-23(6)26-15-11-16-28-27-14-8-9-17-29(27)35-30(20-34-33(35)32(26)28)31-24(18-21(2)3)12-10-13-25(31)19-22(4)5/h8-17,20-23H,7,18-19H2,1-6H3.
What are the key properties of 3-[2,6-bis(2-methylpropyl)phenyl]-12-butan-2-ylimidazo[1,2-f]phenanthridine?
3-[2,6-bis(2-methylpropyl)phenyl]-12-butan-2-ylimidazo[1,2-f]phenanthridine has a molecular weight of 462.68 g/mol, XLogP of 9.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-bis(2-methylpropyl)phenyl]-12-butan-2-ylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 144782387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).