7-butyl-10-tert-butylimidazo[1,2-f]phenanthridine

C23H26N2 — CID 153277944

IUPAC7-butyl-10-tert-butylimidazo[1,2-f]phenanthridine
SMILESCCCCc1ccc2c(c1)c1cc(C(C)(C)C)ccc1c1nccn21
InChIInChI=1S/C23H26N2/c1-5-6-7-16-8-11-21-20(14-16)19-15-17(23(2,3)4)9-10-18(19)22-24-12-13-25(21)22/h8-15H,5-7H2,1-4H3
InChIKeyNJELBEKHPSIGAX-UHFFFAOYSA-N
MW330.48 g/mol
LogP6.28
Rot. Bonds3

About 7-butyl-10-tert-butylimidazo[1,2-f]phenanthridine

7-butyl-10-tert-butylimidazo[1,2-f]phenanthridine (PubChem CID 153277944) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 7-butyl-10-tert-butylimidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name7-butyl-10-tert-butylimidazo[1,2-f]phenanthridine
PubChem CID153277944
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name7-butyl-10-tert-butylimidazo[1,2-f]phenanthridine
SMILESCCCCc1ccc2c(c1)c1cc(C(C)(C)C)ccc1c1nccn21
InChIInChI=1S/C23H26N2/c1-5-6-7-16-8-11-21-20(14-16)19-15-17(23(2,3)4)9-10-18(19)22-24-12-13-25(21)22/h8-15H,5-7H2,1-4H3
InChIKeyNJELBEKHPSIGAX-UHFFFAOYSA-N
XLogP6.28
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 56.28
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

11-bromo-7-tert-butylimidazo[1,2-f]phenanthridine
CID 154610318
10-[(9-ethylcarbazol-3-yl)methyl]imidazo[1,2-f]phenanthridine
CID 59358485
7,10-dimethylimidazo[1,2-f]phenanthridine
CID 58943988
7-[(1-ethylcyclopentyl)methyl]imidazo[1,2-f]phenanthridine
CID 140585607
3,6-dibutyl-9-[4-[2-(3,6-dibutylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole
CID 146355720
2,9-dibutyl-12-phenyl-5-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-dibutyl-12-phenyl-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-ditert-butyl-12-phenyl-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 159409871
1-(7-butylisoquinolin-1-yl)-2-methylpropan-2-amine
CID 82577214
3,6-ditert-butyl-9-heptylcarbazole
CID 146635987
3,6-ditert-butyl-9-hexylcarbazole
CID 146671988
3-tert-butyl-6,9-diethylcarbazole
CID 143233690
imidazo[1,2-f]phenanthridin-7-amine
CID 138528854
6,15-dihexylpentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1,3(10),4(9),5,7,11,13(18),14,16-nonaene
CID 162784810

Frequently Asked Questions

What is the IUPAC name of 7-butyl-10-tert-butylimidazo[1,2-f]phenanthridine?
The IUPAC name of 7-butyl-10-tert-butylimidazo[1,2-f]phenanthridine (CID 153277944) is 7-butyl-10-tert-butylimidazo[1,2-f]phenanthridine.
What is the SMILES notation for 7-butyl-10-tert-butylimidazo[1,2-f]phenanthridine?
The canonical SMILES for 7-butyl-10-tert-butylimidazo[1,2-f]phenanthridine is CCCCc1ccc2c(c1)c1cc(C(C)(C)C)ccc1c1nccn21.
What is the InChIKey of 7-butyl-10-tert-butylimidazo[1,2-f]phenanthridine?
The InChIKey is NJELBEKHPSIGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-5-6-7-16-8-11-21-20(14-16)19-15-17(23(2,3)4)9-10-18(19)22-24-12-13-25(21)22/h8-15H,5-7H2,1-4H3.
What are the key properties of 7-butyl-10-tert-butylimidazo[1,2-f]phenanthridine?
7-butyl-10-tert-butylimidazo[1,2-f]phenanthridine has a molecular weight of 330.48 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-10-tert-butylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 153277944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).