3-[2-[bis[2-[bis(2-cyanoethyl)phosphanyl]ethyl]phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[2-[3-[2-[bis(2-cyanoethyl)phosphanyl]ethyl-(2-cyanoethyl)phosphanyl]propyl-(2-cyanoethyl)phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[bis(2-cyanoethyl)phosphanyl-propylphosphanyl]propanenitrile;4-[bis(3-cyanopropyl)phosphanyl-butylphosphanyl]butanenitrile

C77H126N16P12 — CID 163597117

IUPAC3-[2-[bis[2-[bis(2-cyanoethyl)phosphanyl]ethyl]phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[2-[3-[2-[bis(2-cyanoethyl)phosphanyl]ethyl-(2-cyanoethyl)phosphanyl]propyl-(2-cyanoethyl)phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[bis(2-cyanoethyl)phosphanyl-propylphosphanyl]propanenitrile;4-[bis(3-cyanopropyl)phosphanyl-butylphosphanyl]butanenitrile
SMILESCCCCP(CCCC#N)P(CCCC#N)CCCC#N.CCCP(CCC#N)CCP(CCC#N)CCCP(CCC#N)CCP(CCC#N)CCC#N.CCCP(CCC#N)CCP(CCP(CCC#N)CCC#N)CCP(CCC#N)CCC#N.CCCP(CCC#N)P(CCC#N)CCC#N
InChIInChI=1S/C25H41N5P4.C24H39N5P4.C16H27N3P2.C12H19N3P2/c1-2-14-31(15-3-9-26)22-23-33(18-6-12-29)20-8-21-34(19-7-13-30)25-24-32(16-4-10-27)17-5-11-28;1-2-13-30(14-3-8-25)19-22-33(23-20-31(15-4-9-26)16-5-10-27)24-21-32(17-6-11-28)18-7-12-29;1-2-3-13-20(14-7-4-10-17)21(15-8-5-11-18)16-9-6-12-19;1-2-9-16(10-3-6-13)17(11-4-7-14)12-5-8-15/h2-8,14-25H2,1H3;2-7,13-24H2,1H3;2-9,13-16H2,1H3;2-5,9-12H2,1H3
InChIKeyGUJVGBXGVZMMQK-UHFFFAOYSA-N
MW1647.65 g/mol
LogP23.77
Rot. Bonds65

About 3-[2-[bis[2-[bis(2-cyanoethyl)phosphanyl]ethyl]phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[2-[3-[2-[bis(2-cyanoethyl)phosphanyl]ethyl-(2-cyanoethyl)phosphanyl]propyl-(2-cyanoethyl)phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[bis(2-cyanoethyl)phosphanyl-propylphosphanyl]propanenitrile;4-[bis(3-cyanopropyl)phosphanyl-butylphosphanyl]butanenitrile

3-[2-[bis[2-[bis(2-cyanoethyl)phosphanyl]ethyl]phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[2-[3-[2-[bis(2-cyanoethyl)phosphanyl]ethyl-(2-cyanoethyl)phosphanyl]propyl-(2-cyanoethyl)phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[bis(2-cyanoethyl)phosphanyl-propylphosphanyl]propanenitrile;4-[bis(3-cyanopropyl)phosphanyl-butylphosphanyl]butanenitrile (PubChem CID 163597117) has the molecular formula C77H126N16P12 and a molecular weight of 1647.65 g/mol. Its IUPAC name is 3-[2-[bis[2-[bis(2-cyanoethyl)phosphanyl]ethyl]phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[2-[3-[2-[bis(2-cyanoethyl)phosphanyl]ethyl-(2-cyanoethyl)phosphanyl]propyl-(2-cyanoethyl)phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[bis(2-cyanoethyl)phosphanyl-propylphosphanyl]propanenitrile;4-[bis(3-cyanopropyl)phosphanyl-butylphosphanyl]butanenitrile.

Molecular Properties

Compound Name3-[2-[bis[2-[bis(2-cyanoethyl)phosphanyl]ethyl]phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[2-[3-[2-[bis(2-cyanoethyl)phosphanyl]ethyl-(2-cyanoethyl)phosphanyl]propyl-(2-cyanoethyl)phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[bis(2-cyanoethyl)phosphanyl-propylphosphanyl]propanenitrile;4-[bis(3-cyanopropyl)phosphanyl-butylphosphanyl]butanenitrile
PubChem CID163597117
Molecular FormulaC77H126N16P12
Molecular Weight1647.65 g/mol
Exact Mass1646.72
IUPAC Name3-[2-[bis[2-[bis(2-cyanoethyl)phosphanyl]ethyl]phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[2-[3-[2-[bis(2-cyanoethyl)phosphanyl]ethyl-(2-cyanoethyl)phosphanyl]propyl-(2-cyanoethyl)phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[bis(2-cyanoethyl)phosphanyl-propylphosphanyl]propanenitrile;4-[bis(3-cyanopropyl)phosphanyl-butylphosphanyl]butanenitrile
SMILESCCCCP(CCCC#N)P(CCCC#N)CCCC#N.CCCP(CCC#N)CCP(CCC#N)CCCP(CCC#N)CCP(CCC#N)CCC#N.CCCP(CCC#N)CCP(CCP(CCC#N)CCC#N)CCP(CCC#N)CCC#N.CCCP(CCC#N)P(CCC#N)CCC#N
InChIInChI=1S/C25H41N5P4.C24H39N5P4.C16H27N3P2.C12H19N3P2/c1-2-14-31(15-3-9-26)22-23-33(18-6-12-29)20-8-21-34(19-7-13-30)25-24-32(16-4-10-27)17-5-11-28;1-2-13-30(14-3-8-25)19-22-33(23-20-31(15-4-9-26)16-5-10-27)24-21-32(17-6-11-28)18-7-12-29;1-2-3-13-20(14-7-4-10-17)21(15-8-5-11-18)16-9-6-12-19;1-2-9-16(10-3-6-13)17(11-4-7-14)12-5-8-15/h2-8,14-25H2,1H3;2-7,13-24H2,1H3;2-9,13-16H2,1H3;2-5,9-12H2,1H3
InChIKeyGUJVGBXGVZMMQK-UHFFFAOYSA-N
XLogP23.77
TPSA380.64 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds65
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001647.65
LogP ≤ 523.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 3-[2-[bis[2-[bis(2-cyanoethyl)phosphanyl]ethyl]phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[2-[3-[2-[bis(2-cyanoethyl)phosphanyl]ethyl-(2-cyanoethyl)phosphanyl]propyl-(2-cyanoethyl)phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[bis(2-cyanoethyl)phosphanyl-propylphosphanyl]propanenitrile;4-[bis(3-cyanopropyl)phosphanyl-butylphosphanyl]butanenitrile with MolForge

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Related Compounds

butyl-pentyl-propylphosphane
CID 171559250
chloroform;tributylphosphane
CID 87403775
4-[[di(propan-2-yl)amino]-propylphosphanyl]butanenitrile
CID 166822142
3-[2-cyanoethyl(ethyl)phosphanyl]propanenitrile
CID 57019271
ruthenium;tetrakis(tributylphosphane)
CID 137286049
azane;tributylphosphane
CID 87538509
gold;tributylphosphane
CID 88800341
nickel;bis(tributylphosphane)
CID 50940317
nickel(2+);tributylphosphane
CID 161451777
tributylphosphane;trichlorocobalt
CID 174913282
octadecanenitrile
CID 12532
undecanenitrile
CID 16722

Frequently Asked Questions

What is the IUPAC name of 3-[2-[bis[2-[bis(2-cyanoethyl)phosphanyl]ethyl]phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[2-[3-[2-[bis(2-cyanoethyl)phosphanyl]ethyl-(2-cyanoethyl)phosphanyl]propyl-(2-cyanoethyl)phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[bis(2-cyanoethyl)phosphanyl-propylphosphanyl]propanenitrile;4-[bis(3-cyanopropyl)phosphanyl-butylphosphanyl]butanenitrile?
The IUPAC name of 3-[2-[bis[2-[bis(2-cyanoethyl)phosphanyl]ethyl]phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[2-[3-[2-[bis(2-cyanoethyl)phosphanyl]ethyl-(2-cyanoethyl)phosphanyl]propyl-(2-cyanoethyl)phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[bis(2-cyanoethyl)phosphanyl-propylphosphanyl]propanenitrile;4-[bis(3-cyanopropyl)phosphanyl-butylphosphanyl]butanenitrile (CID 163597117) is 3-[2-[bis[2-[bis(2-cyanoethyl)phosphanyl]ethyl]phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[2-[3-[2-[bis(2-cyanoethyl)phosphanyl]ethyl-(2-cyanoethyl)phosphanyl]propyl-(2-cyanoethyl)phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[bis(2-cyanoethyl)phosphanyl-propylphosphanyl]propanenitrile;4-[bis(3-cyanopropyl)phosphanyl-butylphosphanyl]butanenitrile.
What is the SMILES notation for 3-[2-[bis[2-[bis(2-cyanoethyl)phosphanyl]ethyl]phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[2-[3-[2-[bis(2-cyanoethyl)phosphanyl]ethyl-(2-cyanoethyl)phosphanyl]propyl-(2-cyanoethyl)phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[bis(2-cyanoethyl)phosphanyl-propylphosphanyl]propanenitrile;4-[bis(3-cyanopropyl)phosphanyl-butylphosphanyl]butanenitrile?
The canonical SMILES for 3-[2-[bis[2-[bis(2-cyanoethyl)phosphanyl]ethyl]phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[2-[3-[2-[bis(2-cyanoethyl)phosphanyl]ethyl-(2-cyanoethyl)phosphanyl]propyl-(2-cyanoethyl)phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[bis(2-cyanoethyl)phosphanyl-propylphosphanyl]propanenitrile;4-[bis(3-cyanopropyl)phosphanyl-butylphosphanyl]butanenitrile is CCCCP(CCCC#N)P(CCCC#N)CCCC#N.CCCP(CCC#N)CCP(CCC#N)CCCP(CCC#N)CCP(CCC#N)CCC#N.CCCP(CCC#N)CCP(CCP(CCC#N)CCC#N)CCP(CCC#N)CCC#N.CCCP(CCC#N)P(CCC#N)CCC#N.
What is the InChIKey of 3-[2-[bis[2-[bis(2-cyanoethyl)phosphanyl]ethyl]phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[2-[3-[2-[bis(2-cyanoethyl)phosphanyl]ethyl-(2-cyanoethyl)phosphanyl]propyl-(2-cyanoethyl)phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[bis(2-cyanoethyl)phosphanyl-propylphosphanyl]propanenitrile;4-[bis(3-cyanopropyl)phosphanyl-butylphosphanyl]butanenitrile?
The InChIKey is GUJVGBXGVZMMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N5P4.C24H39N5P4.C16H27N3P2.C12H19N3P2/c1-2-14-31(15-3-9-26)22-23-33(18-6-12-29)20-8-21-34(19-7-13-30)25-24-32(16-4-10-27)17-5-11-28;1-2-13-30(14-3-8-25)19-22-33(23-20-31(15-4-9-26)16-5-10-27)24-21-32(17-6-11-28)18-7-12-29;1-2-3-13-20(14-7-4-10-17)21(15-8-5-11-18)16-9-6-12-19;1-2-9-16(10-3-6-13)17(11-4-7-14)12-5-8-15/h2-8,14-25H2,1H3;2-7,13-24H2,1H3;2-9,13-16H2,1H3;2-5,9-12H2,1H3.
What are the key properties of 3-[2-[bis[2-[bis(2-cyanoethyl)phosphanyl]ethyl]phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[2-[3-[2-[bis(2-cyanoethyl)phosphanyl]ethyl-(2-cyanoethyl)phosphanyl]propyl-(2-cyanoethyl)phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[bis(2-cyanoethyl)phosphanyl-propylphosphanyl]propanenitrile;4-[bis(3-cyanopropyl)phosphanyl-butylphosphanyl]butanenitrile?
3-[2-[bis[2-[bis(2-cyanoethyl)phosphanyl]ethyl]phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[2-[3-[2-[bis(2-cyanoethyl)phosphanyl]ethyl-(2-cyanoethyl)phosphanyl]propyl-(2-cyanoethyl)phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[bis(2-cyanoethyl)phosphanyl-propylphosphanyl]propanenitrile;4-[bis(3-cyanopropyl)phosphanyl-butylphosphanyl]butanenitrile has a molecular weight of 1647.65 g/mol, XLogP of 23.77, 65 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[bis[2-[bis(2-cyanoethyl)phosphanyl]ethyl]phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[2-[3-[2-[bis(2-cyanoethyl)phosphanyl]ethyl-(2-cyanoethyl)phosphanyl]propyl-(2-cyanoethyl)phosphanyl]ethyl-propylphosphanyl]propanenitrile;3-[bis(2-cyanoethyl)phosphanyl-propylphosphanyl]propanenitrile;4-[bis(3-cyanopropyl)phosphanyl-butylphosphanyl]butanenitrile is sourced from PubChem (CID 163597117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).