5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine

C19H12N4 — CID 58163128

IUPAC5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine
SMILESc1ccc2c(c1)c1cccc(-c3cncnc3)c1n1ccnc21
InChIInChI=1S/C19H12N4/c1-2-5-17-15(4-1)16-7-3-6-14(13-10-20-12-21-11-13)18(16)23-9-8-22-19(17)23/h1-12H
InChIKeyKCPRRYXPYSZJQK-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.10
Rot. Bonds1

About 5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine

5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine (PubChem CID 58163128) has the molecular formula C19H12N4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine
PubChem CID58163128
Molecular FormulaC19H12N4
Molecular Weight296.33 g/mol
Exact Mass296.11
IUPAC Name5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine
SMILESc1ccc2c(c1)c1cccc(-c3cncnc3)c1n1ccnc21
InChIInChI=1S/C19H12N4/c1-2-5-17-15(4-1)16-7-3-6-14(13-10-20-12-21-11-13)18(16)23-9-8-22-19(17)23/h1-12H
InChIKeyKCPRRYXPYSZJQK-UHFFFAOYSA-N
XLogP4.10
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-(5-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610294
9-(5-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610868
5,8-dimethylimidazo[1,2-f]phenanthridine
CID 58162818
9-phenylimidazo[1,2-f]phenanthridine
CID 59358454
7-tert-butyl-5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridine
CID 58162335
2,5,9,11,17-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene
CID 140949970
18,21-diphenyl-3,6,18,21-tetrazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.020,28.022,27]hentriaconta-1(17),2(14),4,6,8,10,12,15,19(31),20(28),22,24,26,29-tetradecaene
CID 163432464
18,28-dithia-3,6-diazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),4,6,8,10,12,15,19(31),20,22,24,26,29-tetradecaene
CID 163648136
5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-5-amine;N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-6-amine;hexakis(iridium);5-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5-pyridin-4-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;5-pyrimidin-5-yl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 160747608
3-(2,6-dimethylphenyl)-11-[5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine
CID 154610637
22,31-diphenyl-5,10,13,22,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,18(30),19,21(29),23,25,27-tetradecaene
CID 163498702
9-[5,8-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
CID 154610500

Frequently Asked Questions

What is the IUPAC name of 5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine?
The IUPAC name of 5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine (CID 58163128) is 5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine.
What is the SMILES notation for 5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine?
The canonical SMILES for 5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine is c1ccc2c(c1)c1cccc(-c3cncnc3)c1n1ccnc21.
What is the InChIKey of 5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine?
The InChIKey is KCPRRYXPYSZJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4/c1-2-5-17-15(4-1)16-7-3-6-14(13-10-20-12-21-11-13)18(16)23-9-8-22-19(17)23/h1-12H.
What are the key properties of 5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine?
5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine has a molecular weight of 296.33 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 58163128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).