bis(ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane);molecular nitrogen;molybdenum

C46H86Mo2N12P4 — CID 46944237

IUPACbis(ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane);molecular nitrogen;molybdenum
SMILESCC(C)(C)P(Cc1cccc(CP(C(C)(C)C)C(C)(C)C)n1)C(C)(C)C.CC(C)(C)P(Cc1cccc(CP(C(C)(C)C)C(C)(C)C)n1)C(C)(C)C.N#N.N#N.N#N.N#N.N#N.[Mo].[Mo]
InChIInChI=1S/2C23H43NP2.2Mo.5N2/c2*1-20(2,3)25(21(4,5)6)16-18-14-13-15-19(24-18)17-26(22(7,8)9)23(10,11)12;;;5*1-2/h2*13-15H,16-17H2,1-12H3;;;;;;;
InChIKeyOXGUTQMTHIKYBJ-UHFFFAOYSA-N
MW1123.05 g/mol
LogP16.62
Rot. Bonds8

About bis(ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane);molecular nitrogen;molybdenum

bis(ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane);molecular nitrogen;molybdenum (PubChem CID 46944237) has the molecular formula C46H86Mo2N12P4 and a molecular weight of 1123.05 g/mol. Its IUPAC name is bis(ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane);molecular nitrogen;molybdenum.

Molecular Properties

Compound Namebis(ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane);molecular nitrogen;molybdenum
PubChem CID46944237
Molecular FormulaC46H86Mo2N12P4
Molecular Weight1123.05 g/mol
Exact Mass1126.42
IUPAC Namebis(ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane);molecular nitrogen;molybdenum
SMILESCC(C)(C)P(Cc1cccc(CP(C(C)(C)C)C(C)(C)C)n1)C(C)(C)C.CC(C)(C)P(Cc1cccc(CP(C(C)(C)C)C(C)(C)C)n1)C(C)(C)C.N#N.N#N.N#N.N#N.N#N.[Mo].[Mo]
InChIInChI=1S/2C23H43NP2.2Mo.5N2/c2*1-20(2,3)25(21(4,5)6)16-18-14-13-15-19(24-18)17-26(22(7,8)9)23(10,11)12;;;5*1-2/h2*13-15H,16-17H2,1-12H3;;;;;;;
InChIKeyOXGUTQMTHIKYBJ-UHFFFAOYSA-N
XLogP16.62
TPSA263.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001123.05
LogP ≤ 516.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

2,6-Bis(DI-tert-butylphosphinomethyl)pyridine
CID 11157260
2-((Di-tert-butylphosphinomethyl)-6-diethylaminomethyl)pyridine
CID 53234144
N1,N2-Bis[(6-methyl-2-pyridinyl)methylene]-1,2-ethanediamine
CID 3018656
2,2,3,3-Tetramethyl-5,6-bis(6-methyl-2-pyridinyl)-2,3-dihydropyrazine
CID 373510
2,2'-Bipyridine, 6,6'-dibutyl-
CID 12316111
2,6-Bis((diisopropylphosphino)methyl)pyridine
CID 15398915
6,6'-Dimethyl-2,2'-dipyridylmethane
CID 15421095
2-(Diphenylphosphinomethyl)-6-methylpyridine
CID 19065741
[2,6-Bis(trifluoromethyl)pyridin-3-yl]-[1-[2,6-bis(trifluoromethyl)pyridin-3-yl]phosphanylethyl]phosphane
CID 140625086
CID 158075405
CID 158075405
23,24-Diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene
CID 11012714
[2-[6-[1,3-Bis(dimethylphosphanyl)-2-methylpropan-2-yl]-2-pyridinyl]-3-dimethylphosphanyl-2-methylpropyl]-dimethylphosphane
CID 11510275

Frequently Asked Questions

What is the IUPAC name of bis(ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane);molecular nitrogen;molybdenum?
The IUPAC name of bis(ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane);molecular nitrogen;molybdenum (CID 46944237) is bis(ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane);molecular nitrogen;molybdenum.
What is the SMILES notation for bis(ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane);molecular nitrogen;molybdenum?
The canonical SMILES for bis(ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane);molecular nitrogen;molybdenum is CC(C)(C)P(Cc1cccc(CP(C(C)(C)C)C(C)(C)C)n1)C(C)(C)C.CC(C)(C)P(Cc1cccc(CP(C(C)(C)C)C(C)(C)C)n1)C(C)(C)C.N#N.N#N.N#N.N#N.N#N.[Mo].[Mo].
What is the InChIKey of bis(ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane);molecular nitrogen;molybdenum?
The InChIKey is OXGUTQMTHIKYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H43NP2.2Mo.5N2/c2*1-20(2,3)25(21(4,5)6)16-18-14-13-15-19(24-18)17-26(22(7,8)9)23(10,11)12;;;5*1-2/h2*13-15H,16-17H2,1-12H3;;;;;;;.
What are the key properties of bis(ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane);molecular nitrogen;molybdenum?
bis(ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane);molecular nitrogen;molybdenum has a molecular weight of 1123.05 g/mol, XLogP of 16.62, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane);molecular nitrogen;molybdenum is sourced from PubChem (CID 46944237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).