tetrasilver;benzo[e]pyrene;1,4-xylene;tetraperchlorate

C88H58Ag4Cl4O16 — CID 139136663

IUPACtetrasilver;benzo[e]pyrene;1,4-xylene;tetraperchlorate
SMILESCc1ccc(C)cc1.[Ag+].[Ag+].[Ag+].[Ag+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc2c(c1)c1cccc3ccc4cccc2c4c31.c1ccc2c(c1)c1cccc3ccc4cccc2c4c31.c1ccc2c(c1)c1cccc3ccc4cccc2c4c31.c1ccc2c(c1)c1cccc3ccc4cccc2c4c31
InChIInChI=1S/4C20H12.C8H10.4Ag.4ClHO4/c4*1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17;1-7-3-5-8(2)6-4-7;;;;;4*2-1(3,4)5/h4*1-12H;3-6H,1-2H3;;;;;4*(H,2,3,4,5)/q;;;;;4*+1;;;;/p-4
InChIKeyXQYZDDUBFTUQDT-UHFFFAOYSA-J
MW1944.70 g/mol
LogP6.22
Rot. Bonds

About tetrasilver;benzo[e]pyrene;1,4-xylene;tetraperchlorate

tetrasilver;benzo[e]pyrene;1,4-xylene;tetraperchlorate (PubChem CID 139136663) has the molecular formula C88H58Ag4Cl4O16 and a molecular weight of 1944.70 g/mol. Its IUPAC name is tetrasilver;benzo[e]pyrene;1,4-xylene;tetraperchlorate.

Molecular Properties

Compound Nametetrasilver;benzo[e]pyrene;1,4-xylene;tetraperchlorate
PubChem CID139136663
Molecular FormulaC88H58Ag4Cl4O16
Molecular Weight1944.70 g/mol
Exact Mass1937.87
IUPAC Nametetrasilver;benzo[e]pyrene;1,4-xylene;tetraperchlorate
SMILESCc1ccc(C)cc1.[Ag+].[Ag+].[Ag+].[Ag+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc2c(c1)c1cccc3ccc4cccc2c4c31.c1ccc2c(c1)c1cccc3ccc4cccc2c4c31.c1ccc2c(c1)c1cccc3ccc4cccc2c4c31.c1ccc2c(c1)c1cccc3ccc4cccc2c4c31
InChIInChI=1S/4C20H12.C8H10.4Ag.4ClHO4/c4*1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17;1-7-3-5-8(2)6-4-7;;;;;4*2-1(3,4)5/h4*1-12H;3-6H,1-2H3;;;;;4*(H,2,3,4,5)/q;;;;;4*+1;;;;/p-4
InChIKeyXQYZDDUBFTUQDT-UHFFFAOYSA-J
XLogP6.22
TPSA368.96 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001944.70
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

benzo[e]pyrene
CID 9128
2-(4-methylphenyl)hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 58734352
nonacyclo[14.14.2.02,15.03,12.04,9.05,30.020,32.021,26.027,31]dotriaconta-1(30),2(15),3(12),4(9),5,7,10,13,16,18,20(32),21,23,25,27(31),28-hexadecaene
CID 21087978
benzo[e]pyrene;phenazine
CID 174928113
21-methylhexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene
CID 17876
ethane;3-(4-methylphenyl)perylene
CID 91033625
sodium;chloro-(4-methylphenyl)sulfonylazanide;perylene
CID 88780829
5-methylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3(8),4,6,9,12,14,16,19,21,23,25-tridecaene
CID 11057003
phenanthrene;pyrene;triphenylene
CID 162115949
(4-methylphenyl)-phenyl-pyren-1-ylphosphane
CID 101061260
10-N,10-N,25-N,25-N-tetrakis(4-methylphenyl)nonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3,5,7(34),8,10,12,14,16(33),17(31),18,20,22(32),23,25,27,29-heptadecaene-10,25-diamine
CID 23443846
1-methyl-4-propan-2-ylbenzene;picene
CID 173420307

Frequently Asked Questions

What is the IUPAC name of tetrasilver;benzo[e]pyrene;1,4-xylene;tetraperchlorate?
The IUPAC name of tetrasilver;benzo[e]pyrene;1,4-xylene;tetraperchlorate (CID 139136663) is tetrasilver;benzo[e]pyrene;1,4-xylene;tetraperchlorate.
What is the SMILES notation for tetrasilver;benzo[e]pyrene;1,4-xylene;tetraperchlorate?
The canonical SMILES for tetrasilver;benzo[e]pyrene;1,4-xylene;tetraperchlorate is Cc1ccc(C)cc1.[Ag+].[Ag+].[Ag+].[Ag+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc2c(c1)c1cccc3ccc4cccc2c4c31.c1ccc2c(c1)c1cccc3ccc4cccc2c4c31.c1ccc2c(c1)c1cccc3ccc4cccc2c4c31.c1ccc2c(c1)c1cccc3ccc4cccc2c4c31.
What is the InChIKey of tetrasilver;benzo[e]pyrene;1,4-xylene;tetraperchlorate?
The InChIKey is XQYZDDUBFTUQDT-UHFFFAOYSA-J. The full InChI is InChI=1S/4C20H12.C8H10.4Ag.4ClHO4/c4*1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17;1-7-3-5-8(2)6-4-7;;;;;4*2-1(3,4)5/h4*1-12H;3-6H,1-2H3;;;;;4*(H,2,3,4,5)/q;;;;;4*+1;;;;/p-4.
What are the key properties of tetrasilver;benzo[e]pyrene;1,4-xylene;tetraperchlorate?
tetrasilver;benzo[e]pyrene;1,4-xylene;tetraperchlorate has a molecular weight of 1944.70 g/mol, XLogP of 6.22, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasilver;benzo[e]pyrene;1,4-xylene;tetraperchlorate is sourced from PubChem (CID 139136663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).