chloroform;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;thulium;tri(pyrazol-1-yl)boranuide

C55H40BCl6N10Tm- — CID 139131365

About chloroform;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;thulium;tri(pyrazol-1-yl)boranuide

chloroform;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;thulium;tri(pyrazol-1-yl)boranuide (PubChem CID 139131365) has the molecular formula C55H40BCl6N10Tm- and a molecular weight of 1233.46 g/mol. Its IUPAC name is chloroform;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;thulium;tri(pyrazol-1-yl)boranuide.

Molecular Properties

• Compound Name: chloroform;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;thulium;tri(pyrazol-1-yl)boranuide
• PubChem CID: 139131365
• Molecular Formula: C55H40BCl6N10Tm-
• Molecular Weight: 1233.46 g/mol
• Exact Mass: 1230.10
• IUPAC Name: chloroform;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;thulium;tri(pyrazol-1-yl)boranuide
• SMILES: ClC(Cl)Cl.ClC(Cl)Cl.[Tm].c1ccc([C+]2c3ccc([n-]3)[C+](c3ccccc3)c3ccc([n-]3)[C+](c3ccccc3)c3ccc([n-]3)[C+](c3ccccc3)c3ccc2[n-]3)cc1.c1cnn([BH-](n2cccn2)n2cccn2)c1
• InChI: InChI=1S/C44H28N4.C9H10BN6.2CHCl3.Tm/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;2*2-1(3)4;/h1-28H;1-10H;2*1H;/q;-1
• InChIKey: SERMFEFAKUYBAR-UHFFFAOYSA-N
• XLogP: 11.82
• TPSA: 109.86 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1233.46
LogP ≤ 5	11.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of chloroform;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;thulium;tri(pyrazol-1-yl)boranuide?

The IUPAC name of chloroform;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;thulium;tri(pyrazol-1-yl)boranuide (CID 139131365) is chloroform;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;thulium;tri(pyrazol-1-yl)boranuide.

What is the SMILES notation for chloroform;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;thulium;tri(pyrazol-1-yl)boranuide?

The canonical SMILES for chloroform;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;thulium;tri(pyrazol-1-yl)boranuide is ClC(Cl)Cl.ClC(Cl)Cl.[Tm].c1ccc([C+]2c3ccc([n-]3)[C+](c3ccccc3)c3ccc([n-]3)[C+](c3ccccc3)c3ccc([n-]3)[C+](c3ccccc3)c3ccc2[n-]3)cc1.c1cnn([BH-](n2cccn2)n2cccn2)c1.

What is the InChIKey of chloroform;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;thulium;tri(pyrazol-1-yl)boranuide?

The InChIKey is SERMFEFAKUYBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4.C9H10BN6.2CHCl3.Tm/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;2*2-1(3)4;/h1-28H;1-10H;2*1H;/q;-1;;;.

What are the key properties of chloroform;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;thulium;tri(pyrazol-1-yl)boranuide?

chloroform;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;thulium;tri(pyrazol-1-yl)boranuide has a molecular weight of 1233.46 g/mol, XLogP of 11.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for chloroform;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;thulium;tri(pyrazol-1-yl)boranuide is sourced from PubChem (CID 139131365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).