5,10-dicyclohexyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide;silver

C32H52AgN4-4 — CID 5250321

IUPAC5,10-dicyclohexyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide;silver
SMILESC1CCC(C2C3CCC(CC4CCC(CC5CCC([N-]5)C(C5CCCCC5)C5CCC2[N-]5)[N-]4)[N-]3)CC1.[Ag]
InChIInChI=1S/C32H52N4.Ag/c1-3-7-21(8-4-1)31-27-15-13-25(34-27)19-23-11-12-24(33-23)20-26-14-16-28(35-26)32(22-9-5-2-6-10-22)30-18-17-29(31)36-30;/h21-32H,1-20H2;/q-4;
InChIKeyWHVXEROSCYLONZ-UHFFFAOYSA-N
MW600.66 g/mol
LogP8.79
Rot. Bonds2

About 5,10-dicyclohexyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide;silver

5,10-dicyclohexyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide;silver (PubChem CID 5250321) has the molecular formula C32H52AgN4-4 and a molecular weight of 600.66 g/mol. Its IUPAC name is 5,10-dicyclohexyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide;silver.

Molecular Properties

Compound Name5,10-dicyclohexyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide;silver
PubChem CID5250321
Molecular FormulaC32H52AgN4-4
Molecular Weight600.66 g/mol
Exact Mass599.33
IUPAC Name5,10-dicyclohexyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide;silver
SMILESC1CCC(C2C3CCC(CC4CCC(CC5CCC([N-]5)C(C5CCCCC5)C5CCC2[N-]5)[N-]4)[N-]3)CC1.[Ag]
InChIInChI=1S/C32H52N4.Ag/c1-3-7-21(8-4-1)31-27-15-13-25(34-27)19-23-11-12-24(33-23)20-26-14-16-28(35-26)32(22-9-5-2-6-10-22)30-18-17-29(31)36-30;/h21-32H,1-20H2;/q-4;
InChIKeyWHVXEROSCYLONZ-UHFFFAOYSA-N
XLogP8.79
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.66
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,10-dicyclohexyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide;silver with MolForge

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Related Compounds

2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine;2-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 158888597
Silver;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide
CID 5250311
Nickel;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide
CID 5250315
Palladium;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide
CID 5250317
Copper;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide
CID 5250318
Iron(6+);methanethiol;2,3,7,8,12,13,17,18-octaethyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide
CID 11963907

Frequently Asked Questions

What is the IUPAC name of 5,10-dicyclohexyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide;silver?
The IUPAC name of 5,10-dicyclohexyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide;silver (CID 5250321) is 5,10-dicyclohexyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide;silver.
What is the SMILES notation for 5,10-dicyclohexyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide;silver?
The canonical SMILES for 5,10-dicyclohexyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide;silver is C1CCC(C2C3CCC(CC4CCC(CC5CCC([N-]5)C(C5CCCCC5)C5CCC2[N-]5)[N-]4)[N-]3)CC1.[Ag].
What is the InChIKey of 5,10-dicyclohexyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide;silver?
The InChIKey is WHVXEROSCYLONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52N4.Ag/c1-3-7-21(8-4-1)31-27-15-13-25(34-27)19-23-11-12-24(33-23)20-26-14-16-28(35-26)32(22-9-5-2-6-10-22)30-18-17-29(31)36-30;/h21-32H,1-20H2;/q-4;.
What are the key properties of 5,10-dicyclohexyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide;silver?
5,10-dicyclohexyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide;silver has a molecular weight of 600.66 g/mol, XLogP of 8.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dicyclohexyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide;silver is sourced from PubChem (CID 5250321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).