[5-[diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]pyrrol-1-id-2-yl]-diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphane;ethene;rhodium

C48H48N3P2Rh- — CID 139186699

IUPAC[5-[diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]pyrrol-1-id-2-yl]-diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphane;ethene;rhodium
SMILESC=C.CC(C)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccc(P(=Nc3ccc(C(C)C)cc3)(c3ccccc3)c3ccccc3)[n-]2)cc1.[Rh]
InChIInChI=1S/C46H44N3P2.C2H4.Rh/c1-35(2)37-25-29-39(30-26-37)48-50(41-17-9-5-10-18-41,42-19-11-6-12-20-42)45-33-34-46(47-45)51(43-21-13-7-14-22-43,44-23-15-8-16-24-44)49-40-31-27-38(28-32-40)36(3)4;1-2;/h5-36H,1-4H3;1-2H2;/q-1;;
InChIKeyMUEWZOMFCUHHTJ-UHFFFAOYSA-N
MW831.79 g/mol
LogP11.31
Rot. Bonds10

About [5-[diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]pyrrol-1-id-2-yl]-diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphane;ethene;rhodium

[5-[diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]pyrrol-1-id-2-yl]-diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphane;ethene;rhodium (PubChem CID 139186699) has the molecular formula C48H48N3P2Rh- and a molecular weight of 831.79 g/mol. Its IUPAC name is [5-[diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]pyrrol-1-id-2-yl]-diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphane;ethene;rhodium.

Molecular Properties

Compound Name[5-[diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]pyrrol-1-id-2-yl]-diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphane;ethene;rhodium
PubChem CID139186699
Molecular FormulaC48H48N3P2Rh-
Molecular Weight831.79 g/mol
Exact Mass831.24
IUPAC Name[5-[diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]pyrrol-1-id-2-yl]-diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphane;ethene;rhodium
SMILESC=C.CC(C)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccc(P(=Nc3ccc(C(C)C)cc3)(c3ccccc3)c3ccccc3)[n-]2)cc1.[Rh]
InChIInChI=1S/C46H44N3P2.C2H4.Rh/c1-35(2)37-25-29-39(30-26-37)48-50(41-17-9-5-10-18-41,42-19-11-6-12-20-42)45-33-34-46(47-45)51(43-21-13-7-14-22-43,44-23-15-8-16-24-44)49-40-31-27-38(28-32-40)36(3)4;1-2;/h5-36H,1-4H3;1-2H2;/q-1;;
InChIKeyMUEWZOMFCUHHTJ-UHFFFAOYSA-N
XLogP11.31
TPSA38.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.79
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium [diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide
CID 101471144
bis([diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide);palladium(2+)
CID 139101514
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
cumene;zinc
CID 159490121
cumene;hydrogen peroxide
CID 21225480
cumene;2-methylpropane
CID 90828344
cumene;ethane
CID 54306132
N,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline
CID 134935584
diphenyl-phenylimino-propan-2-yl-lambda5-phosphane
CID 13452466
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894

Frequently Asked Questions

What is the IUPAC name of [5-[diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]pyrrol-1-id-2-yl]-diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphane;ethene;rhodium?
The IUPAC name of [5-[diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]pyrrol-1-id-2-yl]-diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphane;ethene;rhodium (CID 139186699) is [5-[diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]pyrrol-1-id-2-yl]-diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphane;ethene;rhodium.
What is the SMILES notation for [5-[diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]pyrrol-1-id-2-yl]-diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphane;ethene;rhodium?
The canonical SMILES for [5-[diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]pyrrol-1-id-2-yl]-diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphane;ethene;rhodium is C=C.CC(C)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccc(P(=Nc3ccc(C(C)C)cc3)(c3ccccc3)c3ccccc3)[n-]2)cc1.[Rh].
What is the InChIKey of [5-[diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]pyrrol-1-id-2-yl]-diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphane;ethene;rhodium?
The InChIKey is MUEWZOMFCUHHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H44N3P2.C2H4.Rh/c1-35(2)37-25-29-39(30-26-37)48-50(41-17-9-5-10-18-41,42-19-11-6-12-20-42)45-33-34-46(47-45)51(43-21-13-7-14-22-43,44-23-15-8-16-24-44)49-40-31-27-38(28-32-40)36(3)4;1-2;/h5-36H,1-4H3;1-2H2;/q-1;;.
What are the key properties of [5-[diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]pyrrol-1-id-2-yl]-diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphane;ethene;rhodium?
[5-[diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]pyrrol-1-id-2-yl]-diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphane;ethene;rhodium has a molecular weight of 831.79 g/mol, XLogP of 11.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]pyrrol-1-id-2-yl]-diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphane;ethene;rhodium is sourced from PubChem (CID 139186699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).