2-(2,4-dimethyl-6-pentylphenyl)imidazo[1,2-f]phenanthridine

C28H28N2 — CID 70882553

IUPAC2-(2,4-dimethyl-6-pentylphenyl)imidazo[1,2-f]phenanthridine
SMILESCCCCCc1cc(C)cc(C)c1-c1cn2c3ccccc3c3ccccc3c2n1
InChIInChI=1S/C28H28N2/c1-4-5-6-11-21-17-19(2)16-20(3)27(21)25-18-30-26-15-10-9-13-23(26)22-12-7-8-14-24(22)28(30)29-25/h7-10,12-18H,4-6,11H2,1-3H3
InChIKeyXRWAOUZHAFXDOP-UHFFFAOYSA-N
MW392.55 g/mol
LogP7.66
Rot. Bonds5

About 2-(2,4-dimethyl-6-pentylphenyl)imidazo[1,2-f]phenanthridine

2-(2,4-dimethyl-6-pentylphenyl)imidazo[1,2-f]phenanthridine (PubChem CID 70882553) has the molecular formula C28H28N2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-pentylphenyl)imidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-pentylphenyl)imidazo[1,2-f]phenanthridine
PubChem CID70882553
Molecular FormulaC28H28N2
Molecular Weight392.55 g/mol
Exact Mass392.23
IUPAC Name2-(2,4-dimethyl-6-pentylphenyl)imidazo[1,2-f]phenanthridine
SMILESCCCCCc1cc(C)cc(C)c1-c1cn2c3ccccc3c3ccccc3c2n1
InChIInChI=1S/C28H28N2/c1-4-5-6-11-21-17-19(2)16-20(3)27(21)25-18-30-26-15-10-9-13-23(26)22-12-7-8-14-24(22)28(30)29-25/h7-10,12-18H,4-6,11H2,1-3H3
InChIKeyXRWAOUZHAFXDOP-UHFFFAOYSA-N
XLogP7.66
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 59358319
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
9-(2,3-dimethylimidazo[1,2-f]phenanthridin-11-yl)oxy-4-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 163791620
7-methyl-2-[2-(7-methylimidazo[1,2-f]phenanthridin-2-yl)ethyl]imidazo[1,2-f]phenanthridine
CID 58202783
9-(2,3-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-4-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 163789384
2-methyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 59358732
2,5,7-trimethylimidazo[1,2-f]phenanthridine
CID 59358884
2-phenylimidazo[1,2-f]phenanthridin-11-ol
CID 163435365
1,3,5-trimethyl-2-[2-pentyl-6-(2,4,6-trimethylphenyl)phenyl]benzene
CID 173136650
platinum(2+);11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 164703962
3-decyl-1-methylindole
CID 10802084
imidazo[1,2-f]phenanthridin-2-yl(trimethyl)azanium
CID 58162682

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-pentylphenyl)imidazo[1,2-f]phenanthridine?
The IUPAC name of 2-(2,4-dimethyl-6-pentylphenyl)imidazo[1,2-f]phenanthridine (CID 70882553) is 2-(2,4-dimethyl-6-pentylphenyl)imidazo[1,2-f]phenanthridine.
What is the SMILES notation for 2-(2,4-dimethyl-6-pentylphenyl)imidazo[1,2-f]phenanthridine?
The canonical SMILES for 2-(2,4-dimethyl-6-pentylphenyl)imidazo[1,2-f]phenanthridine is CCCCCc1cc(C)cc(C)c1-c1cn2c3ccccc3c3ccccc3c2n1.
What is the InChIKey of 2-(2,4-dimethyl-6-pentylphenyl)imidazo[1,2-f]phenanthridine?
The InChIKey is XRWAOUZHAFXDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2/c1-4-5-6-11-21-17-19(2)16-20(3)27(21)25-18-30-26-15-10-9-13-23(26)22-12-7-8-14-24(22)28(30)29-25/h7-10,12-18H,4-6,11H2,1-3H3.
What are the key properties of 2-(2,4-dimethyl-6-pentylphenyl)imidazo[1,2-f]phenanthridine?
2-(2,4-dimethyl-6-pentylphenyl)imidazo[1,2-f]phenanthridine has a molecular weight of 392.55 g/mol, XLogP of 7.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-pentylphenyl)imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 70882553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).