gallium;pyridine;2,3,17-trinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide

C42H12F15GaN8O6 — CID 10307140

IUPACgallium;pyridine;2,3,17-trinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide
SMILESO=[N+]([O-])c1cc2[n-]c1c(-c1c(F)c(F)c(F)c(F)c1F)c1ccc([n-]1)c(-c1c(F)c(F)c(F)c(F)c1F)c1nc(c(-c3c(F)c(F)c(F)c(F)c3F)c3[n-]c2c([N+](=O)[O-])c3[N+](=O)[O-])CC1.[Ga+3].c1ccncc1
InChIInChI=1S/C37H7F15N7O6.C5H5N.Ga/c38-18-15(19(39)25(45)30(50)24(18)44)12-6-1-3-8(53-6)13(16-20(40)26(46)31(51)27(47)21(16)41)34-11(57(60)61)5-10(55-34)33-36(58(62)63)37(59(64)65)35(56-33)14(9-4-2-7(12)54-9)17-22(42)28(48)32(52)29(49)23(17)43;1-2-4-6-5-3-1;/h1,3,5H,2,4H2;1-5H;/q-3;;+3/b12-6+,12-7+,13-8-,14-9-,33-10-,34-13+,35-14+;;
InChIKeyBZXSQJAWAMUSTI-KWUAEMRMSA-N
MW1079.30 g/mol
LogP10.71
Rot. Bonds6

About gallium;pyridine;2,3,17-trinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide

gallium;pyridine;2,3,17-trinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide (PubChem CID 10307140) has the molecular formula C42H12F15GaN8O6 and a molecular weight of 1079.30 g/mol. Its IUPAC name is gallium;pyridine;2,3,17-trinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide.

Molecular Properties

Compound Namegallium;pyridine;2,3,17-trinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide
PubChem CID10307140
Molecular FormulaC42H12F15GaN8O6
Molecular Weight1079.30 g/mol
Exact Mass1077.99
IUPAC Namegallium;pyridine;2,3,17-trinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide
SMILESO=[N+]([O-])c1cc2[n-]c1c(-c1c(F)c(F)c(F)c(F)c1F)c1ccc([n-]1)c(-c1c(F)c(F)c(F)c(F)c1F)c1nc(c(-c3c(F)c(F)c(F)c(F)c3F)c3[n-]c2c([N+](=O)[O-])c3[N+](=O)[O-])CC1.[Ga+3].c1ccncc1
InChIInChI=1S/C37H7F15N7O6.C5H5N.Ga/c38-18-15(19(39)25(45)30(50)24(18)44)12-6-1-3-8(53-6)13(16-20(40)26(46)31(51)27(47)21(16)41)34-11(57(60)61)5-10(55-34)33-36(58(62)63)37(59(64)65)35(56-33)14(9-4-2-7(12)54-9)17-22(42)28(48)32(52)29(49)23(17)43;1-2-4-6-5-3-1;/h1,3,5H,2,4H2;1-5H;/q-3;;+3/b12-6+,12-7+,13-8-,14-9-,33-10-,34-13+,35-14+;;
InChIKeyBZXSQJAWAMUSTI-KWUAEMRMSA-N
XLogP10.71
TPSA197.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001079.30
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze gallium;pyridine;2,3,17-trinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

aluminum;pyridine;5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,22,24-triide-3,17-dicarbaldehyde
CID 74002989
palladium(2+);bis(pyridine);dinitrate
CID 71533034
1-nitro-2-phenylbenzene;pyridine
CID 174774599
1-(2,5-difluoro-4-nitrophenyl)-2,3,4,5,6-pentafluorobenzene
CID 118815275
1,2,4,5-tetrafluoro-3-(4-methylphenyl)-6-nitrobenzene
CID 125484736
1,2,3,4,5-pentafluoro-6-(2-fluoro-3-nitrophenyl)benzene
CID 134617355
3-nitro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine
CID 133087465
europium(3+);pyridine;trinitrate
CID 174680686
silver;pyridine;nitrate
CID 87328507
nickel;bis(pyridine);nitrate
CID 173452471
1,2,3,4,5-pentafluoro-6-(4-fluoro-2-nitrophenyl)benzene
CID 118826390
carbanide;cobalt;5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,23,24-triide
CID 22986605

Frequently Asked Questions

What is the IUPAC name of gallium;pyridine;2,3,17-trinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide?
The IUPAC name of gallium;pyridine;2,3,17-trinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide (CID 10307140) is gallium;pyridine;2,3,17-trinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide.
What is the SMILES notation for gallium;pyridine;2,3,17-trinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide?
The canonical SMILES for gallium;pyridine;2,3,17-trinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide is O=[N+]([O-])c1cc2[n-]c1c(-c1c(F)c(F)c(F)c(F)c1F)c1ccc([n-]1)c(-c1c(F)c(F)c(F)c(F)c1F)c1nc(c(-c3c(F)c(F)c(F)c(F)c3F)c3[n-]c2c([N+](=O)[O-])c3[N+](=O)[O-])CC1.[Ga+3].c1ccncc1.
What is the InChIKey of gallium;pyridine;2,3,17-trinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide?
The InChIKey is BZXSQJAWAMUSTI-KWUAEMRMSA-N. The full InChI is InChI=1S/C37H7F15N7O6.C5H5N.Ga/c38-18-15(19(39)25(45)30(50)24(18)44)12-6-1-3-8(53-6)13(16-20(40)26(46)31(51)27(47)21(16)41)34-11(57(60)61)5-10(55-34)33-36(58(62)63)37(59(64)65)35(56-33)14(9-4-2-7(12)54-9)17-22(42)28(48)32(52)29(49)23(17)43;1-2-4-6-5-3-1;/h1,3,5H,2,4H2;1-5H;/q-3;;+3/b12-6+,12-7+,13-8-,14-9-,33-10-,34-13+,35-14+;;.
What are the key properties of gallium;pyridine;2,3,17-trinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide?
gallium;pyridine;2,3,17-trinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide has a molecular weight of 1079.30 g/mol, XLogP of 10.71, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for gallium;pyridine;2,3,17-trinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrocorrin-21,23,24-triide is sourced from PubChem (CID 10307140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).