bis(tetraphenylboranuide);triphenyl(3-triphenylphosphaniumylpropyl)phosphanium

C87H76B2P2 — CID 87661840

IUPACbis(tetraphenylboranuide);triphenyl(3-triphenylphosphaniumylpropyl)phosphanium
SMILESc1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H36P2.2C24H20B/c1-7-20-34(21-8-1)40(35-22-9-2-10-23-35,36-24-11-3-12-25-36)32-19-33-41(37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39;2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-18,20-31H,19,32-33H2;2*1-20H/q+2;2*-1
InChIKeyOKHNKZBDVSOGQN-UHFFFAOYSA-N
MW1205.14 g/mol
LogP13.49
Rot. Bonds18

About bis(tetraphenylboranuide);triphenyl(3-triphenylphosphaniumylpropyl)phosphanium

bis(tetraphenylboranuide);triphenyl(3-triphenylphosphaniumylpropyl)phosphanium (PubChem CID 87661840) has the molecular formula C87H76B2P2 and a molecular weight of 1205.14 g/mol. Its IUPAC name is bis(tetraphenylboranuide);triphenyl(3-triphenylphosphaniumylpropyl)phosphanium.

Molecular Properties

Compound Namebis(tetraphenylboranuide);triphenyl(3-triphenylphosphaniumylpropyl)phosphanium
PubChem CID87661840
Molecular FormulaC87H76B2P2
Molecular Weight1205.14 g/mol
Exact Mass1204.56
IUPAC Namebis(tetraphenylboranuide);triphenyl(3-triphenylphosphaniumylpropyl)phosphanium
SMILESc1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H36P2.2C24H20B/c1-7-20-34(21-8-1)40(35-22-9-2-10-23-35,36-24-11-3-12-25-36)32-19-33-41(37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39;2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-18,20-31H,19,32-33H2;2*1-20H/q+2;2*-1
InChIKeyOKHNKZBDVSOGQN-UHFFFAOYSA-N
XLogP13.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001205.14
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
tetraphenylboranuide;trihexyl(phenyl)phosphanium
CID 87662204
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
4-iodobutyl(triphenyl)phosphanium
CID 16760510
4-fluorobutyl(triphenyl)phosphanium
CID 21187191
8-bromooctyl(triphenyl)phosphanium
CID 11991463
triphenyl(4-sulfanylbutyl)phosphanium bromide
CID 71353664
hexyl(triphenyl)phosphanium
CID 2724570
3-chloropropyl(triphenyl)phosphanium;gold
CID 71396572
5-bromopentyl(triphenyl)phosphanium
CID 53436148

Frequently Asked Questions

What is the IUPAC name of bis(tetraphenylboranuide);triphenyl(3-triphenylphosphaniumylpropyl)phosphanium?
The IUPAC name of bis(tetraphenylboranuide);triphenyl(3-triphenylphosphaniumylpropyl)phosphanium (CID 87661840) is bis(tetraphenylboranuide);triphenyl(3-triphenylphosphaniumylpropyl)phosphanium.
What is the SMILES notation for bis(tetraphenylboranuide);triphenyl(3-triphenylphosphaniumylpropyl)phosphanium?
The canonical SMILES for bis(tetraphenylboranuide);triphenyl(3-triphenylphosphaniumylpropyl)phosphanium is c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(tetraphenylboranuide);triphenyl(3-triphenylphosphaniumylpropyl)phosphanium?
The InChIKey is OKHNKZBDVSOGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36P2.2C24H20B/c1-7-20-34(21-8-1)40(35-22-9-2-10-23-35,36-24-11-3-12-25-36)32-19-33-41(37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39;2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-18,20-31H,19,32-33H2;2*1-20H/q+2;2*-1.
What are the key properties of bis(tetraphenylboranuide);triphenyl(3-triphenylphosphaniumylpropyl)phosphanium?
bis(tetraphenylboranuide);triphenyl(3-triphenylphosphaniumylpropyl)phosphanium has a molecular weight of 1205.14 g/mol, XLogP of 13.49, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tetraphenylboranuide);triphenyl(3-triphenylphosphaniumylpropyl)phosphanium is sourced from PubChem (CID 87661840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).