2-methyl-1,12-di(propan-2-yl)imidazo[1,2-f]phenanthridin-4-ium

C22H25N2+ — CID 140940411

IUPAC2-methyl-1,12-di(propan-2-yl)imidazo[1,2-f]phenanthridin-4-ium
SMILESCc1c[n+]2c3ccccc3c3cccc(C(C)C)c3c2n1C(C)C
InChIInChI=1S/C22H25N2/c1-14(2)17-10-8-11-19-18-9-6-7-12-20(18)23-13-16(5)24(15(3)4)22(23)21(17)19/h6-15H,1-5H3/q+1
InChIKeyDCBVUSYJECGRFN-UHFFFAOYSA-N
MW317.46 g/mol
LogP5.55
Rot. Bonds2

About 2-methyl-1,12-di(propan-2-yl)imidazo[1,2-f]phenanthridin-4-ium

2-methyl-1,12-di(propan-2-yl)imidazo[1,2-f]phenanthridin-4-ium (PubChem CID 140940411) has the molecular formula C22H25N2+ and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-methyl-1,12-di(propan-2-yl)imidazo[1,2-f]phenanthridin-4-ium.

Molecular Properties

Compound Name2-methyl-1,12-di(propan-2-yl)imidazo[1,2-f]phenanthridin-4-ium
PubChem CID140940411
Molecular FormulaC22H25N2+
Molecular Weight317.46 g/mol
Exact Mass317.20
IUPAC Name2-methyl-1,12-di(propan-2-yl)imidazo[1,2-f]phenanthridin-4-ium
SMILESCc1c[n+]2c3ccccc3c3cccc(C(C)C)c3c2n1C(C)C
InChIInChI=1S/C22H25N2/c1-14(2)17-10-8-11-19-18-9-6-7-12-20(18)23-13-16(5)24(15(3)4)22(23)21(17)19/h6-15H,1-5H3/q+1
InChIKeyDCBVUSYJECGRFN-UHFFFAOYSA-N
XLogP5.55
TPSA9.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.46
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-dimethylphenyl)-2,8-dimethyl-1,12-di(propan-2-yl)imidazo[1,2-f]phenanthridin-4-ium
CID 140940363
2-methyl-3-phenyl-1,12-di(propan-2-yl)-8-(trideuteriomethyl)imidazo[1,2-f]phenanthridin-4-ium
CID 140940532
1,12-dimethyl-2-phenylimidazo[1,2-f]phenanthridin-4-ium
CID 155616035
3-[2,6-bis(2-methylpropyl)phenyl]-2,8-dimethyl-1,12-di(propan-2-yl)imidazo[1,2-f]phenanthridin-4-ium
CID 140940360
ethane;1-propan-2-yldibenzofuran
CID 142343182
1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1,2,12-trimethylimidazo[1,2-f]phenanthridin-4-ium
CID 160723478
4-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-propan-2-yl-2-(2-propan-2-ylphenyl)imidazol-1-ium
CID 140940245
1,8-di(propan-2-yl)-9H-carbazole
CID 174295528
10-methyl-6,9,12,12-tetra(propan-2-yl)-17-(trideuteriomethyl)-13-oxa-9-aza-19-azonia-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8(19),10,14(18),15-octaene
CID 140940419
9-propan-2-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 123182540
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
1-methyl-2-oxido-4-propan-2-ylisoquinolin-2-ium
CID 70877692

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,12-di(propan-2-yl)imidazo[1,2-f]phenanthridin-4-ium?
The IUPAC name of 2-methyl-1,12-di(propan-2-yl)imidazo[1,2-f]phenanthridin-4-ium (CID 140940411) is 2-methyl-1,12-di(propan-2-yl)imidazo[1,2-f]phenanthridin-4-ium.
What is the SMILES notation for 2-methyl-1,12-di(propan-2-yl)imidazo[1,2-f]phenanthridin-4-ium?
The canonical SMILES for 2-methyl-1,12-di(propan-2-yl)imidazo[1,2-f]phenanthridin-4-ium is Cc1c[n+]2c3ccccc3c3cccc(C(C)C)c3c2n1C(C)C.
What is the InChIKey of 2-methyl-1,12-di(propan-2-yl)imidazo[1,2-f]phenanthridin-4-ium?
The InChIKey is DCBVUSYJECGRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N2/c1-14(2)17-10-8-11-19-18-9-6-7-12-20(18)23-13-16(5)24(15(3)4)22(23)21(17)19/h6-15H,1-5H3/q+1.
What are the key properties of 2-methyl-1,12-di(propan-2-yl)imidazo[1,2-f]phenanthridin-4-ium?
2-methyl-1,12-di(propan-2-yl)imidazo[1,2-f]phenanthridin-4-ium has a molecular weight of 317.46 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,12-di(propan-2-yl)imidazo[1,2-f]phenanthridin-4-ium is sourced from PubChem (CID 140940411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).