CID 11586115

C56H52BF4P2Rh- — CID 11586115

IUPAC—
SMILESCc1ccc(P(c2ccc(C)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(C)cc3)c3ccc(C)cc3)ccc3ccccc23)cc1.F[B-](F)(F)F.[CH]1[CH]CC[CH][CH]CC1.[Rh]
InChIInChI=1S/C48H40P2.C8H12.BF4.Rh/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h5-32H,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;
InChIKeyOELINLWPQVBSIZ-UHFFFAOYSA-N
MW976.69 g/mol
LogP14.09
Rot. Bonds7

About CID 11586115

CID 11586115 (PubChem CID 11586115) has the molecular formula C56H52BF4P2Rh- and a molecular weight of 976.69 g/mol.

Molecular Properties

Compound NameCID 11586115
PubChem CID11586115
Molecular FormulaC56H52BF4P2Rh-
Molecular Weight976.69 g/mol
Exact Mass976.26
IUPAC Name—
SMILESCc1ccc(P(c2ccc(C)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(C)cc3)c3ccc(C)cc3)ccc3ccccc23)cc1.F[B-](F)(F)F.[CH]1[CH]CC[CH][CH]CC1.[Rh]
InChIInChI=1S/C48H40P2.C8H12.BF4.Rh/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h5-32H,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;
InChIKeyOELINLWPQVBSIZ-UHFFFAOYSA-N
XLogP14.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.69
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Phosphine oxide, [1,1'-binaphthalene]-2,2'-diylbis
CID 10985169
Binap, (A+-)-
CID 634876
1,8-(Diphenylphosphino)naphthalene
CID 2756729
(R)-(+)-2,2'-Bis(di(3,5-xylyl)phosphino)-1,1'-binaphthyl
CID 4189905
(S)-(-)-2,2'-Bis(di-p-tolylphosphino)-1, 1'-binaphthyl
CID 4189906
[1-(2-Diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
CID 4366894
((R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl)palladium(II) chloride
CID 10919878
5-[4-(3,4-Dihydro-2H-pyrano[3,2-c]pyridin-5-yloxy)-2-methylphenyl]-4,6-dimethylpyridazin-3(2H)-one (14)
CID 126584461
(S)-(-)-binap-chloro-(benzol)ruthenium-chloride
CID 11072956
(R)-[2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl dichlororuthenium
CID 11136527
[(R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthalen]chloro(p-cymene)rutheniumchloride
CID 11147374
[(R)-(+)-2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl]palladium(II) chloride
CID 11814861

Frequently Asked Questions

What is the IUPAC name of CID 11586115?
The IUPAC name of CID 11586115 (CID 11586115) is not available.
What is the SMILES notation for CID 11586115?
The canonical SMILES for CID 11586115 is Cc1ccc(P(c2ccc(C)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(C)cc3)c3ccc(C)cc3)ccc3ccccc23)cc1.F[B-](F)(F)F.[CH]1[CH]CC[CH][CH]CC1.[Rh].
What is the InChIKey of CID 11586115?
The InChIKey is OELINLWPQVBSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40P2.C8H12.BF4.Rh/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h5-32H,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;.
What are the key properties of CID 11586115?
CID 11586115 has a molecular weight of 976.69 g/mol, XLogP of 14.09, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11586115 is sourced from PubChem (CID 11586115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).