carbanide;2-phenylethenylidenerhodium;bis(tri(propan-2-yl)phosphane)

C27H51P2Rh- — CID 11038817

IUPACcarbanide;2-phenylethenylidenerhodium;bis(tri(propan-2-yl)phosphane)
SMILESCC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.[CH3-].[Rh]=C=Cc1ccccc1
InChIInChI=1S/2C9H21P.C8H6.CH3.Rh/c2*1-7(2)10(8(3)4)9(5)6;1-2-8-6-4-3-5-7-8;;/h2*7-9H,1-6H3;2-7H;1H3;/q;;;-1;
InChIKeyDHXSSCDUAYXJSV-UHFFFAOYSA-N
MW540.56 g/mol
LogP9.48
Rot. Bonds7

About carbanide;2-phenylethenylidenerhodium;bis(tri(propan-2-yl)phosphane)

carbanide;2-phenylethenylidenerhodium;bis(tri(propan-2-yl)phosphane) (PubChem CID 11038817) has the molecular formula C27H51P2Rh- and a molecular weight of 540.56 g/mol. Its IUPAC name is carbanide;2-phenylethenylidenerhodium;bis(tri(propan-2-yl)phosphane).

Molecular Properties

Compound Namecarbanide;2-phenylethenylidenerhodium;bis(tri(propan-2-yl)phosphane)
PubChem CID11038817
Molecular FormulaC27H51P2Rh-
Molecular Weight540.56 g/mol
Exact Mass540.25
IUPAC Namecarbanide;2-phenylethenylidenerhodium;bis(tri(propan-2-yl)phosphane)
SMILESCC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.[CH3-].[Rh]=C=Cc1ccccc1
InChIInChI=1S/2C9H21P.C8H6.CH3.Rh/c2*1-7(2)10(8(3)4)9(5)6;1-2-8-6-4-3-5-7-8;;/h2*7-9H,1-6H3;2-7H;1H3;/q;;;-1;
InChIKeyDHXSSCDUAYXJSV-UHFFFAOYSA-N
XLogP9.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.56
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;2-phenylethenylidenerhodium;bis(tri(propan-2-yl)phosphane)?
The IUPAC name of carbanide;2-phenylethenylidenerhodium;bis(tri(propan-2-yl)phosphane) (CID 11038817) is carbanide;2-phenylethenylidenerhodium;bis(tri(propan-2-yl)phosphane).
What is the SMILES notation for carbanide;2-phenylethenylidenerhodium;bis(tri(propan-2-yl)phosphane)?
The canonical SMILES for carbanide;2-phenylethenylidenerhodium;bis(tri(propan-2-yl)phosphane) is CC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.[CH3-].[Rh]=C=Cc1ccccc1.
What is the InChIKey of carbanide;2-phenylethenylidenerhodium;bis(tri(propan-2-yl)phosphane)?
The InChIKey is DHXSSCDUAYXJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H21P.C8H6.CH3.Rh/c2*1-7(2)10(8(3)4)9(5)6;1-2-8-6-4-3-5-7-8;;/h2*7-9H,1-6H3;2-7H;1H3;/q;;;-1;.
What are the key properties of carbanide;2-phenylethenylidenerhodium;bis(tri(propan-2-yl)phosphane)?
carbanide;2-phenylethenylidenerhodium;bis(tri(propan-2-yl)phosphane) has a molecular weight of 540.56 g/mol, XLogP of 9.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-phenylethenylidenerhodium;bis(tri(propan-2-yl)phosphane) is sourced from PubChem (CID 11038817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).