tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triphenyl(tetracen-5-ylmethyl)phosphanium

C61H28BF20P — CID 139734655

About tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triphenyl(tetracen-5-ylmethyl)phosphanium

tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triphenyl(tetracen-5-ylmethyl)phosphanium (PubChem CID 139734655) has the molecular formula C61H28BF20P and a molecular weight of 1182.64 g/mol. Its IUPAC name is tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triphenyl(tetracen-5-ylmethyl)phosphanium.

Molecular Properties

• Compound Name: tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triphenyl(tetracen-5-ylmethyl)phosphanium
• PubChem CID: 139734655
• Molecular Formula: C61H28BF20P
• Molecular Weight: 1182.64 g/mol
• Exact Mass: 1182.17
• IUPAC Name: tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triphenyl(tetracen-5-ylmethyl)phosphanium
• SMILES: Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.c1ccc([P+](Cc2c3ccccc3cc3cc4ccccc4cc23)(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C37H28P.C24BF20/c1-4-17-32(18-5-1)38(33-19-6-2-7-20-33,34-21-8-3-9-22-34)27-37-35-23-13-12-16-30(35)25-31-24-28-14-10-11-15-29(28)26-36(31)37;26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33/h1-26H,27H2;/q+1;-1
• InChIKey: STGSURDDPSRIPZ-UHFFFAOYSA-N
• XLogP: 14.49
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1182.64
LogP ≤ 5	14.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triphenyl(tetracen-5-ylmethyl)phosphanium?

The IUPAC name of tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triphenyl(tetracen-5-ylmethyl)phosphanium (CID 139734655) is tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triphenyl(tetracen-5-ylmethyl)phosphanium.

What is the SMILES notation for tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triphenyl(tetracen-5-ylmethyl)phosphanium?

The canonical SMILES for tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triphenyl(tetracen-5-ylmethyl)phosphanium is Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.c1ccc([P+](Cc2c3ccccc3cc3cc4ccccc4cc23)(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triphenyl(tetracen-5-ylmethyl)phosphanium?

The InChIKey is STGSURDDPSRIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28P.C24BF20/c1-4-17-32(18-5-1)38(33-19-6-2-7-20-33,34-21-8-3-9-22-34)27-37-35-23-13-12-16-30(35)25-31-24-28-14-10-11-15-29(28)26-36(31)37;26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33/h1-26H,27H2;/q+1;-1.

What are the key properties of tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triphenyl(tetracen-5-ylmethyl)phosphanium?

tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triphenyl(tetracen-5-ylmethyl)phosphanium has a molecular weight of 1182.64 g/mol, XLogP of 14.49, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triphenyl(tetracen-5-ylmethyl)phosphanium is sourced from PubChem (CID 139734655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).