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

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CID 173032958
silver;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;nitrate
CID 11457162
bis([1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine
CID 11982135
[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
CID 4189905
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
[1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane
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[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;1-methyl-4-propan-2-ylbenzene;ruthenium;dihydrochloride
CID 176507684
4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol
CID 102082604
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;chlororuthenium(1+);1-methyl-4-propan-2-ylcyclohexane;chloride
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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).