(5Z)-cycloocta-1,5-diene;3-diphenylphosphanylpropyl(diphenyl)phosphane;rhodium(3+);triperchlorate

C35H38Cl3O12P2Rh — CID 173344894

IUPAC(5Z)-cycloocta-1,5-diene;3-diphenylphosphanylpropyl(diphenyl)phosphane;rhodium(3+);triperchlorate
SMILESC1=CCC/C=C\CC1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Rh+3].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26P2.C8H12.3ClHO4.Rh/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;1-2-4-6-8-7-5-3-1;3*2-1(3,4)5;/h1-12,14-21H,13,22-23H2;1-2,7-8H,3-6H2;3*(H,2,3,4,5);/q;;;;;+3/p-3/b;2-1-,8-7?;;;;
InChIKeyONTPXXFJJWEHMW-CWFLYLKYSA-K
MW921.89 g/mol
LogP-5.96
Rot. Bonds8

About (5Z)-cycloocta-1,5-diene;3-diphenylphosphanylpropyl(diphenyl)phosphane;rhodium(3+);triperchlorate

(5Z)-cycloocta-1,5-diene;3-diphenylphosphanylpropyl(diphenyl)phosphane;rhodium(3+);triperchlorate (PubChem CID 173344894) has the molecular formula C35H38Cl3O12P2Rh and a molecular weight of 921.89 g/mol. Its IUPAC name is (5Z)-cycloocta-1,5-diene;3-diphenylphosphanylpropyl(diphenyl)phosphane;rhodium(3+);triperchlorate.

Molecular Properties

Compound Name(5Z)-cycloocta-1,5-diene;3-diphenylphosphanylpropyl(diphenyl)phosphane;rhodium(3+);triperchlorate
PubChem CID173344894
Molecular FormulaC35H38Cl3O12P2Rh
Molecular Weight921.89 g/mol
Exact Mass920.00
IUPAC Name(5Z)-cycloocta-1,5-diene;3-diphenylphosphanylpropyl(diphenyl)phosphane;rhodium(3+);triperchlorate
SMILESC1=CCC/C=C\CC1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Rh+3].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26P2.C8H12.3ClHO4.Rh/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;1-2-4-6-8-7-5-3-1;3*2-1(3,4)5;/h1-12,14-21H,13,22-23H2;1-2,7-8H,3-6H2;3*(H,2,3,4,5);/q;;;;;+3/p-3/b;2-1-,8-7?;;;;
InChIKeyONTPXXFJJWEHMW-CWFLYLKYSA-K
XLogP-5.96
TPSA276.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.89
LogP ≤ 5-5.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'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 (5Z)-cycloocta-1,5-diene;3-diphenylphosphanylpropyl(diphenyl)phosphane;rhodium(3+);triperchlorate?
The IUPAC name of (5Z)-cycloocta-1,5-diene;3-diphenylphosphanylpropyl(diphenyl)phosphane;rhodium(3+);triperchlorate (CID 173344894) is (5Z)-cycloocta-1,5-diene;3-diphenylphosphanylpropyl(diphenyl)phosphane;rhodium(3+);triperchlorate.
What is the SMILES notation for (5Z)-cycloocta-1,5-diene;3-diphenylphosphanylpropyl(diphenyl)phosphane;rhodium(3+);triperchlorate?
The canonical SMILES for (5Z)-cycloocta-1,5-diene;3-diphenylphosphanylpropyl(diphenyl)phosphane;rhodium(3+);triperchlorate is C1=CCC/C=C\CC1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Rh+3].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (5Z)-cycloocta-1,5-diene;3-diphenylphosphanylpropyl(diphenyl)phosphane;rhodium(3+);triperchlorate?
The InChIKey is ONTPXXFJJWEHMW-CWFLYLKYSA-K. The full InChI is InChI=1S/C27H26P2.C8H12.3ClHO4.Rh/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;1-2-4-6-8-7-5-3-1;3*2-1(3,4)5;/h1-12,14-21H,13,22-23H2;1-2,7-8H,3-6H2;3*(H,2,3,4,5);/q;;;;;+3/p-3/b;2-1-,8-7?;;;;.
What are the key properties of (5Z)-cycloocta-1,5-diene;3-diphenylphosphanylpropyl(diphenyl)phosphane;rhodium(3+);triperchlorate?
(5Z)-cycloocta-1,5-diene;3-diphenylphosphanylpropyl(diphenyl)phosphane;rhodium(3+);triperchlorate has a molecular weight of 921.89 g/mol, XLogP of -5.96, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-cycloocta-1,5-diene;3-diphenylphosphanylpropyl(diphenyl)phosphane;rhodium(3+);triperchlorate is sourced from PubChem (CID 173344894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).