bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[2-(4-hydroxybut-2-en-2-yl)-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(3-methyl-12-oxo-2-pent-2-en-2-yl-1-azacyclododec-4-en-6-yl) acetate

C37H89N2O7P25 — CID 139291185

IUPACbis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[2-(4-hydroxybut-2-en-2-yl)-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(3-methyl-12-oxo-2-pent-2-en-2-yl-1-azacyclododec-4-en-6-yl) acetate
SMILESCC(=O)OC1C=CC(C)C(C(C)=CCO)NC(=O)CCCCC1.CCC=C(C)C1NC(=O)CCCCCC(OC(C)=O)C=CC1C.PP(P)P(P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C19H31NO3.C18H29NO4.H15P13.H14P12/c1-5-9-14(2)19-15(3)12-13-17(23-16(4)21)10-7-6-8-11-18(22)20-19;1-13-9-10-16(23-15(3)21)7-5-4-6-8-17(22)19-18(13)14(2)11-12-20;1-8-12(9(2)3)13(10(4)5)11(6)7;1-8(2)11(7)12(9(3)4)10(5)6/h9,12-13,15,17,19H,5-8,10-11H2,1-4H3,(H,20,22);9-11,13,16,18,20H,4-8,12H2,1-3H3,(H,19,22);8H,1-7H2;1-7H2
InChIKeyCIUBMDQWRPBOKZ-UHFFFAOYSA-N
MW1448.48 g/mol
LogP20.18
Rot. Bonds15

About bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[2-(4-hydroxybut-2-en-2-yl)-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(3-methyl-12-oxo-2-pent-2-en-2-yl-1-azacyclododec-4-en-6-yl) acetate

bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[2-(4-hydroxybut-2-en-2-yl)-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(3-methyl-12-oxo-2-pent-2-en-2-yl-1-azacyclododec-4-en-6-yl) acetate (PubChem CID 139291185) has the molecular formula C37H89N2O7P25 and a molecular weight of 1448.48 g/mol. Its IUPAC name is bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[2-(4-hydroxybut-2-en-2-yl)-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(3-methyl-12-oxo-2-pent-2-en-2-yl-1-azacyclododec-4-en-6-yl) acetate.

Molecular Properties

Compound Namebis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[2-(4-hydroxybut-2-en-2-yl)-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(3-methyl-12-oxo-2-pent-2-en-2-yl-1-azacyclododec-4-en-6-yl) acetate
PubChem CID139291185
Molecular FormulaC37H89N2O7P25
Molecular Weight1448.48 g/mol
Exact Mass1448.01
IUPAC Namebis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[2-(4-hydroxybut-2-en-2-yl)-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(3-methyl-12-oxo-2-pent-2-en-2-yl-1-azacyclododec-4-en-6-yl) acetate
SMILESCC(=O)OC1C=CC(C)C(C(C)=CCO)NC(=O)CCCCC1.CCC=C(C)C1NC(=O)CCCCCC(OC(C)=O)C=CC1C.PP(P)P(P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C19H31NO3.C18H29NO4.H15P13.H14P12/c1-5-9-14(2)19-15(3)12-13-17(23-16(4)21)10-7-6-8-11-18(22)20-19;1-13-9-10-16(23-15(3)21)7-5-4-6-8-17(22)19-18(13)14(2)11-12-20;1-8-12(9(2)3)13(10(4)5)11(6)7;1-8(2)11(7)12(9(3)4)10(5)6/h9,12-13,15,17,19H,5-8,10-11H2,1-4H3,(H,20,22);9-11,13,16,18,20H,4-8,12H2,1-3H3,(H,19,22);8H,1-7H2;1-7H2
InChIKeyCIUBMDQWRPBOKZ-UHFFFAOYSA-N
XLogP20.18
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001448.48
LogP ≤ 520.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[2-(4-hydroxybut-2-en-2-yl)-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(3-methyl-12-oxo-2-pent-2-en-2-yl-1-azacyclododec-4-en-6-yl) acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[2-(4-hydroxybut-2-en-2-yl)-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(3-methyl-12-oxo-2-pent-2-en-2-yl-1-azacyclododec-4-en-6-yl) acetate?
The IUPAC name of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[2-(4-hydroxybut-2-en-2-yl)-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(3-methyl-12-oxo-2-pent-2-en-2-yl-1-azacyclododec-4-en-6-yl) acetate (CID 139291185) is bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[2-(4-hydroxybut-2-en-2-yl)-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(3-methyl-12-oxo-2-pent-2-en-2-yl-1-azacyclododec-4-en-6-yl) acetate.
What is the SMILES notation for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[2-(4-hydroxybut-2-en-2-yl)-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(3-methyl-12-oxo-2-pent-2-en-2-yl-1-azacyclododec-4-en-6-yl) acetate?
The canonical SMILES for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[2-(4-hydroxybut-2-en-2-yl)-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(3-methyl-12-oxo-2-pent-2-en-2-yl-1-azacyclododec-4-en-6-yl) acetate is CC(=O)OC1C=CC(C)C(C(C)=CCO)NC(=O)CCCCC1.CCC=C(C)C1NC(=O)CCCCCC(OC(C)=O)C=CC1C.PP(P)P(P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P)P)P(P)P.
What is the InChIKey of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[2-(4-hydroxybut-2-en-2-yl)-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(3-methyl-12-oxo-2-pent-2-en-2-yl-1-azacyclododec-4-en-6-yl) acetate?
The InChIKey is CIUBMDQWRPBOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3.C18H29NO4.H15P13.H14P12/c1-5-9-14(2)19-15(3)12-13-17(23-16(4)21)10-7-6-8-11-18(22)20-19;1-13-9-10-16(23-15(3)21)7-5-4-6-8-17(22)19-18(13)14(2)11-12-20;1-8-12(9(2)3)13(10(4)5)11(6)7;1-8(2)11(7)12(9(3)4)10(5)6/h9,12-13,15,17,19H,5-8,10-11H2,1-4H3,(H,20,22);9-11,13,16,18,20H,4-8,12H2,1-3H3,(H,19,22);8H,1-7H2;1-7H2.
What are the key properties of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[2-(4-hydroxybut-2-en-2-yl)-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(3-methyl-12-oxo-2-pent-2-en-2-yl-1-azacyclododec-4-en-6-yl) acetate?
bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[2-(4-hydroxybut-2-en-2-yl)-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(3-methyl-12-oxo-2-pent-2-en-2-yl-1-azacyclododec-4-en-6-yl) acetate has a molecular weight of 1448.48 g/mol, XLogP of 20.18, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[2-(4-hydroxybut-2-en-2-yl)-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(3-methyl-12-oxo-2-pent-2-en-2-yl-1-azacyclododec-4-en-6-yl) acetate is sourced from PubChem (CID 139291185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).