(1Z,5Z)-cycloocta-1,5-diene;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;rhodium;tetraphenylboranuide

C73H71BP3Rh- — CID 11983039

IUPAC(1Z,5Z)-cycloocta-1,5-diene;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;rhodium;tetraphenylboranuide
SMILESC1=C\CC/C=C\CC/1.CC(CP(c1ccccc1)c1ccccc1)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.[Rh].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C41H39P3.C24H20B.C8H12.Rh/c1-41(32-42(35-20-8-2-9-21-35)36-22-10-3-11-23-36,33-43(37-24-12-4-13-25-37)38-26-14-5-15-27-38)34-44(39-28-16-6-17-29-39)40-30-18-7-19-31-40;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;1-2-4-6-8-7-5-3-1;/h2-31H,32-34H2,1H3;1-20H;1-2,7-8H,3-6H2;/q;-1;;/b;;2-1-,8-7-;
InChIKeyGWZCNCFVOMLIAD-KEUNEWJHSA-N
MW1155.01 g/mol
LogP14.13
Rot. Bonds16

About (1Z,5Z)-cycloocta-1,5-diene;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;rhodium;tetraphenylboranuide

(1Z,5Z)-cycloocta-1,5-diene;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;rhodium;tetraphenylboranuide (PubChem CID 11983039) has the molecular formula C73H71BP3Rh- and a molecular weight of 1155.01 g/mol. Its IUPAC name is (1Z,5Z)-cycloocta-1,5-diene;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;rhodium;tetraphenylboranuide.

Molecular Properties

Compound Name(1Z,5Z)-cycloocta-1,5-diene;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;rhodium;tetraphenylboranuide
PubChem CID11983039
Molecular FormulaC73H71BP3Rh-
Molecular Weight1155.01 g/mol
Exact Mass1154.39
IUPAC Name(1Z,5Z)-cycloocta-1,5-diene;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;rhodium;tetraphenylboranuide
SMILESC1=C\CC/C=C\CC/1.CC(CP(c1ccccc1)c1ccccc1)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.[Rh].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C41H39P3.C24H20B.C8H12.Rh/c1-41(32-42(35-20-8-2-9-21-35)36-22-10-3-11-23-36,33-43(37-24-12-4-13-25-37)38-26-14-5-15-27-38)34-44(39-28-16-6-17-29-39)40-30-18-7-19-31-40;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;1-2-4-6-8-7-5-3-1;/h2-31H,32-34H2,1H3;1-20H;1-2,7-8H,3-6H2;/q;-1;;/b;;2-1-,8-7-;
InChIKeyGWZCNCFVOMLIAD-KEUNEWJHSA-N
XLogP14.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001155.01
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;rhodium;tetraphenylboranuide?
The IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;rhodium;tetraphenylboranuide (CID 11983039) is (1Z,5Z)-cycloocta-1,5-diene;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;rhodium;tetraphenylboranuide.
What is the SMILES notation for (1Z,5Z)-cycloocta-1,5-diene;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;rhodium;tetraphenylboranuide?
The canonical SMILES for (1Z,5Z)-cycloocta-1,5-diene;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;rhodium;tetraphenylboranuide is C1=C\CC/C=C\CC/1.CC(CP(c1ccccc1)c1ccccc1)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.[Rh].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (1Z,5Z)-cycloocta-1,5-diene;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;rhodium;tetraphenylboranuide?
The InChIKey is GWZCNCFVOMLIAD-KEUNEWJHSA-N. The full InChI is InChI=1S/C41H39P3.C24H20B.C8H12.Rh/c1-41(32-42(35-20-8-2-9-21-35)36-22-10-3-11-23-36,33-43(37-24-12-4-13-25-37)38-26-14-5-15-27-38)34-44(39-28-16-6-17-29-39)40-30-18-7-19-31-40;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;1-2-4-6-8-7-5-3-1;/h2-31H,32-34H2,1H3;1-20H;1-2,7-8H,3-6H2;/q;-1;;/b;;2-1-,8-7-;.
What are the key properties of (1Z,5Z)-cycloocta-1,5-diene;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;rhodium;tetraphenylboranuide?
(1Z,5Z)-cycloocta-1,5-diene;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;rhodium;tetraphenylboranuide has a molecular weight of 1155.01 g/mol, XLogP of 14.13, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z)-cycloocta-1,5-diene;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;rhodium;tetraphenylboranuide is sourced from PubChem (CID 11983039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).