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

C34H42N2 — CID 145008568

IUPAC3-[2,6-bis(2-methylpropyl)phenyl]-12-propan-2-ylimidazo[1,2-f]phenanthridine;ethane
SMILESCC.CC(C)Cc1cccc(CC(C)C)c1-c1cnc2c3c(C(C)C)cccc3c3ccccc3n12
InChIInChI=1S/C32H36N2.C2H6/c1-20(2)17-23-11-9-12-24(18-21(3)4)30(23)29-19-33-32-31-25(22(5)6)14-10-15-27(31)26-13-7-8-16-28(26)34(29)32;1-2/h7-16,19-22H,17-18H2,1-6H3;1-2H3
InChIKeyFSYSWEYPRJLVKV-UHFFFAOYSA-N
MW478.72 g/mol
LogP9.85
Rot. Bonds6

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

3-[2,6-bis(2-methylpropyl)phenyl]-12-propan-2-ylimidazo[1,2-f]phenanthridine;ethane (PubChem CID 145008568) has the molecular formula C34H42N2 and a molecular weight of 478.72 g/mol. Its IUPAC name is 3-[2,6-bis(2-methylpropyl)phenyl]-12-propan-2-ylimidazo[1,2-f]phenanthridine;ethane.

Molecular Properties

Compound Name3-[2,6-bis(2-methylpropyl)phenyl]-12-propan-2-ylimidazo[1,2-f]phenanthridine;ethane
PubChem CID145008568
Molecular FormulaC34H42N2
Molecular Weight478.72 g/mol
Exact Mass478.33
IUPAC Name3-[2,6-bis(2-methylpropyl)phenyl]-12-propan-2-ylimidazo[1,2-f]phenanthridine;ethane
SMILESCC.CC(C)Cc1cccc(CC(C)C)c1-c1cnc2c3c(C(C)C)cccc3c3ccccc3n12
InChIInChI=1S/C32H36N2.C2H6/c1-20(2)17-23-11-9-12-24(18-21(3)4)30(23)29-19-33-32-31-25(22(5)6)14-10-15-27(31)26-13-7-8-16-28(26)34(29)32;1-2/h7-16,19-22H,17-18H2,1-6H3;1-2H3
InChIKeyFSYSWEYPRJLVKV-UHFFFAOYSA-N
XLogP9.85
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.72
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2,6-bis(2-methylpropyl)phenyl]-12-butan-2-ylimidazo[1,2-f]phenanthridine
CID 144782387
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-di(propan-2-yl)phenyl]-2,5,16,19-tetrazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene
CID 140948571
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-di(propan-2-yl)phenyl]-11-[(6-phenoxy-2-pyridinyl)oxy]imidazo[1,2-f]phenanthridine
CID 140593578
3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,5-f]phenanthridine
CID 165169299
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-(2,3,4,5,6-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
tetrakis(3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide);tris(iridium);iridium(3+);1-methyl-9-(1-methylimidazol-2-yl)carbazole;1-methyl-9-(1-phenylimidazol-2-yl)carbazole;1-methyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;1-methyl-9-[1-(2-propan-2-ylphenyl)imidazol-2-yl]carbazole
CID 162281270
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

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(2-methylpropyl)phenyl]-12-propan-2-ylimidazo[1,2-f]phenanthridine;ethane?
The IUPAC name of 3-[2,6-bis(2-methylpropyl)phenyl]-12-propan-2-ylimidazo[1,2-f]phenanthridine;ethane (CID 145008568) is 3-[2,6-bis(2-methylpropyl)phenyl]-12-propan-2-ylimidazo[1,2-f]phenanthridine;ethane.
What is the SMILES notation for 3-[2,6-bis(2-methylpropyl)phenyl]-12-propan-2-ylimidazo[1,2-f]phenanthridine;ethane?
The canonical SMILES for 3-[2,6-bis(2-methylpropyl)phenyl]-12-propan-2-ylimidazo[1,2-f]phenanthridine;ethane is CC.CC(C)Cc1cccc(CC(C)C)c1-c1cnc2c3c(C(C)C)cccc3c3ccccc3n12.
What is the InChIKey of 3-[2,6-bis(2-methylpropyl)phenyl]-12-propan-2-ylimidazo[1,2-f]phenanthridine;ethane?
The InChIKey is FSYSWEYPRJLVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2.C2H6/c1-20(2)17-23-11-9-12-24(18-21(3)4)30(23)29-19-33-32-31-25(22(5)6)14-10-15-27(31)26-13-7-8-16-28(26)34(29)32;1-2/h7-16,19-22H,17-18H2,1-6H3;1-2H3.
What are the key properties of 3-[2,6-bis(2-methylpropyl)phenyl]-12-propan-2-ylimidazo[1,2-f]phenanthridine;ethane?
3-[2,6-bis(2-methylpropyl)phenyl]-12-propan-2-ylimidazo[1,2-f]phenanthridine;ethane has a molecular weight of 478.72 g/mol, XLogP of 9.85, 6 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-propan-2-ylimidazo[1,2-f]phenanthridine;ethane is sourced from PubChem (CID 145008568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).