(1Z,5Z)-cycloocta-1,5-diene;2-(2-diphenylphosphanyl-N-methylanilino)ethanol;rhodium;tetrafluoroborate

C29H34BF4NOPRh- — CID 10995796

IUPAC(1Z,5Z)-cycloocta-1,5-diene;2-(2-diphenylphosphanyl-N-methylanilino)ethanol;rhodium;tetrafluoroborate
SMILESC1=C\CC/C=C\CC/1.CN(CCO)c1ccccc1P(c1ccccc1)c1ccccc1.F[B-](F)(F)F.[Rh]
InChIInChI=1S/C21H22NOP.C8H12.BF4.Rh/c1-22(16-17-23)20-14-8-9-15-21(20)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2-15,23H,16-17H2,1H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;
InChIKeyBFFOFGHAIWPOFB-ONEVTFJLSA-N
MW633.28 g/mol
LogP6.84
Rot. Bonds6

About (1Z,5Z)-cycloocta-1,5-diene;2-(2-diphenylphosphanyl-N-methylanilino)ethanol;rhodium;tetrafluoroborate

(1Z,5Z)-cycloocta-1,5-diene;2-(2-diphenylphosphanyl-N-methylanilino)ethanol;rhodium;tetrafluoroborate (PubChem CID 10995796) has the molecular formula C29H34BF4NOPRh- and a molecular weight of 633.28 g/mol. Its IUPAC name is (1Z,5Z)-cycloocta-1,5-diene;2-(2-diphenylphosphanyl-N-methylanilino)ethanol;rhodium;tetrafluoroborate.

Molecular Properties

Compound Name(1Z,5Z)-cycloocta-1,5-diene;2-(2-diphenylphosphanyl-N-methylanilino)ethanol;rhodium;tetrafluoroborate
PubChem CID10995796
Molecular FormulaC29H34BF4NOPRh-
Molecular Weight633.28 g/mol
Exact Mass633.15
IUPAC Name(1Z,5Z)-cycloocta-1,5-diene;2-(2-diphenylphosphanyl-N-methylanilino)ethanol;rhodium;tetrafluoroborate
SMILESC1=C\CC/C=C\CC/1.CN(CCO)c1ccccc1P(c1ccccc1)c1ccccc1.F[B-](F)(F)F.[Rh]
InChIInChI=1S/C21H22NOP.C8H12.BF4.Rh/c1-22(16-17-23)20-14-8-9-15-21(20)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2-15,23H,16-17H2,1H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;
InChIKeyBFFOFGHAIWPOFB-ONEVTFJLSA-N
XLogP6.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.28
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

2-diphenylphosphanyl-N-(2-diphenylphosphanyloxyethyl)-N-methylaniline
CID 102355584
2-diphenylphosphanyl-N-methyl-N-(2-phenyldiazenylethyl)aniline
CID 138547419
2-diphenylphosphanyl-N,N-diethylaniline
CID 13103880
N,N'-bis(2-diphenylphosphanylphenyl)-N,N'-diethylpropane-1,3-diamine
CID 12969629
2-diphenylphosphanyl-N-methyl-N-[(3-methyl-2H-imidazol-1-yl)methyl]aniline
CID 138547451
N-[3-(N-acetyl-2-diphenylphosphanylanilino)propyl]-N-(2-diphenylphosphanylphenyl)acetamide
CID 12969627
cycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate
CID 11592885
(1Z,5Z)-cycloocta-1,5-diene;(2-methoxyphenyl)-[2-[(2-methoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane;rhodium(2+);tetrafluoroborate
CID 133126630
bis((1Z,5Z)-cycloocta-1,5-diene);[1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane;rhodium;tetrafluoroborate
CID 135084830
2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid
CID 83820596
tris(triphenylphosphane);tetrafluoroborate
CID 175134442
2-diphenylphosphanyl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 138547414

Frequently Asked Questions

What is the IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;2-(2-diphenylphosphanyl-N-methylanilino)ethanol;rhodium;tetrafluoroborate?
The IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;2-(2-diphenylphosphanyl-N-methylanilino)ethanol;rhodium;tetrafluoroborate (CID 10995796) is (1Z,5Z)-cycloocta-1,5-diene;2-(2-diphenylphosphanyl-N-methylanilino)ethanol;rhodium;tetrafluoroborate.
What is the SMILES notation for (1Z,5Z)-cycloocta-1,5-diene;2-(2-diphenylphosphanyl-N-methylanilino)ethanol;rhodium;tetrafluoroborate?
The canonical SMILES for (1Z,5Z)-cycloocta-1,5-diene;2-(2-diphenylphosphanyl-N-methylanilino)ethanol;rhodium;tetrafluoroborate is C1=C\CC/C=C\CC/1.CN(CCO)c1ccccc1P(c1ccccc1)c1ccccc1.F[B-](F)(F)F.[Rh].
What is the InChIKey of (1Z,5Z)-cycloocta-1,5-diene;2-(2-diphenylphosphanyl-N-methylanilino)ethanol;rhodium;tetrafluoroborate?
The InChIKey is BFFOFGHAIWPOFB-ONEVTFJLSA-N. The full InChI is InChI=1S/C21H22NOP.C8H12.BF4.Rh/c1-22(16-17-23)20-14-8-9-15-21(20)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2-15,23H,16-17H2,1H3;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;2-(2-diphenylphosphanyl-N-methylanilino)ethanol;rhodium;tetrafluoroborate?
(1Z,5Z)-cycloocta-1,5-diene;2-(2-diphenylphosphanyl-N-methylanilino)ethanol;rhodium;tetrafluoroborate has a molecular weight of 633.28 g/mol, XLogP of 6.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z)-cycloocta-1,5-diene;2-(2-diphenylphosphanyl-N-methylanilino)ethanol;rhodium;tetrafluoroborate is sourced from PubChem (CID 10995796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).