disodium;4-chloro-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;hydride;oxido formate;palladium;phenylboronic acid;tetrakis(triphenylphosphane)

C105H82BCl3N4Na2O7P4Pd — CID 157106339

About disodium;4-chloro-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;hydride;oxido formate;palladium;phenylboronic acid;tetrakis(triphenylphosphane)

disodium;4-chloro-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;hydride;oxido formate;palladium;phenylboronic acid;tetrakis(triphenylphosphane) (PubChem CID 157106339) has the molecular formula C105H82BCl3N4Na2O7P4Pd and a molecular weight of 1905.30 g/mol. Its IUPAC name is disodium;4-chloro-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;hydride;oxido formate;palladium;phenylboronic acid;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: disodium;4-chloro-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;hydride;oxido formate;palladium;phenylboronic acid;tetrakis(triphenylphosphane)
• PubChem CID: 157106339
• Molecular Formula: C105H82BCl3N4Na2O7P4Pd
• Molecular Weight: 1905.30 g/mol
• Exact Mass: 1902.31
• IUPAC Name: disodium;4-chloro-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;hydride;oxido formate;palladium;phenylboronic acid;tetrakis(triphenylphosphane)
• SMILES: Clc1nc(-c2ccccc2)nc2c1oc1ccccc12.Clc1nc(Cl)c2oc3ccccc3c2n1.O=CO[O-].OB(O)c1ccccc1.[H-].[Na+].[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/4C18H15P.C16H9ClN2O.C10H4Cl2N2O.C6H7BO2.CH2O3.2Na.Pd.H/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-15-14-13(11-8-4-5-9-12(11)20-14)18-16(19-15)10-6-2-1-3-7-10;11-9-8-7(13-10(12)14-9)5-3-1-2-4-6(5)15-8;8-7(9)6-4-2-1-3-5-6;2-1-4-3;;;;/h4*1-15H;1-9H;1-4H;1-5,8-9H;1,3H;;;;/q;;;;;;;;2*+1;;-1/p-1
• InChIKey: FNKYYJFFPODWIO-UHFFFAOYSA-M
• XLogP: 14.08
• TPSA: 167.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1905.30
LogP ≤ 5	14.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;4-chloro-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;hydride;oxido formate;palladium;phenylboronic acid;tetrakis(triphenylphosphane)?

The IUPAC name of disodium;4-chloro-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;hydride;oxido formate;palladium;phenylboronic acid;tetrakis(triphenylphosphane) (CID 157106339) is disodium;4-chloro-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;hydride;oxido formate;palladium;phenylboronic acid;tetrakis(triphenylphosphane).

What is the SMILES notation for disodium;4-chloro-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;hydride;oxido formate;palladium;phenylboronic acid;tetrakis(triphenylphosphane)?

The canonical SMILES for disodium;4-chloro-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;hydride;oxido formate;palladium;phenylboronic acid;tetrakis(triphenylphosphane) is Clc1nc(-c2ccccc2)nc2c1oc1ccccc12.Clc1nc(Cl)c2oc3ccccc3c2n1.O=CO[O-].OB(O)c1ccccc1.[H-].[Na+].[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of disodium;4-chloro-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;hydride;oxido formate;palladium;phenylboronic acid;tetrakis(triphenylphosphane)?

The InChIKey is FNKYYJFFPODWIO-UHFFFAOYSA-M. The full InChI is InChI=1S/4C18H15P.C16H9ClN2O.C10H4Cl2N2O.C6H7BO2.CH2O3.2Na.Pd.H/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-15-14-13(11-8-4-5-9-12(11)20-14)18-16(19-15)10-6-2-1-3-7-10;11-9-8-7(13-10(12)14-9)5-3-1-2-4-6(5)15-8;8-7(9)6-4-2-1-3-5-6;2-1-4-3;;;;/h4*1-15H;1-9H;1-4H;1-5,8-9H;1,3H;;;;/q;;;;;;;;2*+1;;-1/p-1.

What are the key properties of disodium;4-chloro-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;hydride;oxido formate;palladium;phenylboronic acid;tetrakis(triphenylphosphane)?

disodium;4-chloro-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;hydride;oxido formate;palladium;phenylboronic acid;tetrakis(triphenylphosphane) has a molecular weight of 1905.30 g/mol, XLogP of 14.08, 15 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;4-chloro-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;hydride;oxido formate;palladium;phenylboronic acid;tetrakis(triphenylphosphane) is sourced from PubChem (CID 157106339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).