3,7-bis(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine

C25H30N2 — CID 58163115

IUPAC3,7-bis(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine
SMILESCC(C)(C)Cc1ccc2c(c1)c1ccccc1c1ncc(CC(C)(C)C)n21
InChIInChI=1S/C25H30N2/c1-24(2,3)14-17-11-12-22-21(13-17)19-9-7-8-10-20(19)23-26-16-18(27(22)23)15-25(4,5)6/h7-13,16H,14-15H2,1-6H3
InChIKeyDIUZKQQTWUUGQR-UHFFFAOYSA-N
MW358.53 g/mol
LogP6.82
Rot. Bonds2

About 3,7-bis(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine

3,7-bis(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine (PubChem CID 58163115) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 3,7-bis(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name3,7-bis(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine
PubChem CID58163115
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC Name3,7-bis(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine
SMILESCC(C)(C)Cc1ccc2c(c1)c1ccccc1c1ncc(CC(C)(C)C)n21
InChIInChI=1S/C25H30N2/c1-24(2,3)14-17-11-12-22-21(13-17)19-9-7-8-10-20(19)23-26-16-18(27(22)23)15-25(4,5)6/h7-13,16H,14-15H2,1-6H3
InChIKeyDIUZKQQTWUUGQR-UHFFFAOYSA-N
XLogP6.82
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 56.82
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

10-(2,2-dimethylpropyl)-16-thia-14,18,20-triazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-1(20),2,4,6,8(13),9,11,15(19),17-nonaene
CID 58162571
3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58162639
3,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-(2-methylimidazol-3-id-4-yl)pyridine
CID 58163114
CID 161026691
CID 161026691
3-(2-methylpropyl)-6-propylimidazo[1,2-f]phenanthridine
CID 58163227
3-(2-carbazol-9-ylpropan-2-yl)imidazo[1,2-f]phenanthridine
CID 58162790
3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline
CID 58517919
7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazo[1,2-f]phenanthridine;ethane;propane
CID 144979771
7-(2,2-dimethylpropyl)-3-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 58162565
3-tert-butyl-5,6-dimethylimidazo[2,1-a]isoquinoline
CID 58517636
6-(2,2-dimethylpropyl)-2-[2-[6-(2,2-dimethylpropyl)pyrazolo[1,5-f]phenanthridin-2-yl]propan-2-yl]pyrazolo[1,5-f]phenanthridine
CID 58202805
10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 59358314

Frequently Asked Questions

What is the IUPAC name of 3,7-bis(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine?
The IUPAC name of 3,7-bis(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine (CID 58163115) is 3,7-bis(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine.
What is the SMILES notation for 3,7-bis(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine?
The canonical SMILES for 3,7-bis(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine is CC(C)(C)Cc1ccc2c(c1)c1ccccc1c1ncc(CC(C)(C)C)n21.
What is the InChIKey of 3,7-bis(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine?
The InChIKey is DIUZKQQTWUUGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2/c1-24(2,3)14-17-11-12-22-21(13-17)19-9-7-8-10-20(19)23-26-16-18(27(22)23)15-25(4,5)6/h7-13,16H,14-15H2,1-6H3.
What are the key properties of 3,7-bis(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine?
3,7-bis(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine has a molecular weight of 358.53 g/mol, XLogP of 6.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 58163115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).