(2,3-ditert-butyl-4,5-dimethylpyrrol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-dimethylpyrrol-3-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-2-methylimidazol-4-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-4-methylimidazol-2-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-2-methylimidazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1-methylpyrazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-3-methylpyrazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-oxazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-thiazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyltriazol-1-yl)-(diphosphanyl)-phosphanylphosphane

C120H257N17OP40S — CID 160852049

IUPAC(2,3-ditert-butyl-4,5-dimethylpyrrol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-dimethylpyrrol-3-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-2-methylimidazol-4-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-4-methylimidazol-2-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-2-methylimidazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1-methylpyrazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-3-methylpyrazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-oxazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-thiazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyltriazol-1-yl)-(diphosphanyl)-phosphanylphosphane
SMILESCC(C)(C)c1nnn(P(P)PP)c1C(C)(C)C.CC(C)(C)c1onc(P(P)PP)c1C(C)(C)C.CC(C)(C)c1snc(P(P)PP)c1C(C)(C)C.Cc1c(C(C)(C)C)c(C(C)(C)C)n(P(P)PP)c1C.Cc1c(P(P)PP)c(C(C)(C)C)c(C(C)(C)C)n1C.Cc1nc(C(C)(C)C)c(C(C)(C)C)n1P(P)PP.Cc1nc(P(P)PP)c(C(C)(C)C)n1C(C)(C)C.Cc1nc(P(P)PP)n(C(C)(C)C)c1C(C)(C)C.Cc1nn(P(P)PP)c(C(C)(C)C)c1C(C)(C)C.Cn1nc(P(P)PP)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/2C14H29NP4.5C12H26N2P4.C11H23NOP4.C11H23NP4S.C10H23N3P4/c1-9-11(19(17)18-16)10(13(2,3)4)12(15(9)8)14(5,6)7;1-9-10(2)15(19(17)18-16)12(14(6,7)8)11(9)13(3,4)5;1-11(2,3)8-9(12(4,5)6)14(7)13-10(8)18(16)17-15;1-8-13-10(18(16)17-15)9(11(2,3)4)14(8)12(5,6)7;1-8-13-9(11(2,3)4)10(12(5,6)7)14(8)18(16)17-15;1-8-9(11(2,3)4)14(12(5,6)7)10(13-8)18(16)17-15;1-8-9(11(2,3)4)10(12(5,6)7)14(13-8)18(16)17-15;1-10(2,3)7-8(11(4,5)6)13-12-9(7)17(15)16-14;1-10(2,3)7-8(11(4,5)6)17-12-9(7)16(14)15-13;1-9(2,3)7-8(10(4,5)6)13(12-11-7)17(15)16-14/h2*18H,16-17H2,1-8H3;5*17H,15-16H2,1-7H3;16H,14-15H2,1-6H3;15H,13-14H2,1-6H3;16H,14-15H2,1-6H3
InChIKeySJJSMOHJDJJKPL-UHFFFAOYSA-N
MW3225.52 g/mol
LogP48.95
Rot. Bonds20

About (2,3-ditert-butyl-4,5-dimethylpyrrol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-dimethylpyrrol-3-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-2-methylimidazol-4-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-4-methylimidazol-2-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-2-methylimidazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1-methylpyrazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-3-methylpyrazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-oxazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-thiazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyltriazol-1-yl)-(diphosphanyl)-phosphanylphosphane

(2,3-ditert-butyl-4,5-dimethylpyrrol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-dimethylpyrrol-3-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-2-methylimidazol-4-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-4-methylimidazol-2-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-2-methylimidazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1-methylpyrazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-3-methylpyrazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-oxazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-thiazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyltriazol-1-yl)-(diphosphanyl)-phosphanylphosphane (PubChem CID 160852049) has the molecular formula C120H257N17OP40S and a molecular weight of 3225.52 g/mol. Its IUPAC name is (2,3-ditert-butyl-4,5-dimethylpyrrol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-dimethylpyrrol-3-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-2-methylimidazol-4-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-4-methylimidazol-2-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-2-methylimidazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1-methylpyrazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-3-methylpyrazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-oxazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-thiazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyltriazol-1-yl)-(diphosphanyl)-phosphanylphosphane.

Molecular Properties

Compound Name(2,3-ditert-butyl-4,5-dimethylpyrrol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-dimethylpyrrol-3-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-2-methylimidazol-4-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-4-methylimidazol-2-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-2-methylimidazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1-methylpyrazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-3-methylpyrazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-oxazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-thiazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyltriazol-1-yl)-(diphosphanyl)-phosphanylphosphane
PubChem CID160852049
Molecular FormulaC120H257N17OP40S
Molecular Weight3225.52 g/mol
Exact Mass3223.98
IUPAC Name(2,3-ditert-butyl-4,5-dimethylpyrrol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-dimethylpyrrol-3-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-2-methylimidazol-4-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-4-methylimidazol-2-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-2-methylimidazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1-methylpyrazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-3-methylpyrazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-oxazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-thiazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyltriazol-1-yl)-(diphosphanyl)-phosphanylphosphane
SMILESCC(C)(C)c1nnn(P(P)PP)c1C(C)(C)C.CC(C)(C)c1onc(P(P)PP)c1C(C)(C)C.CC(C)(C)c1snc(P(P)PP)c1C(C)(C)C.Cc1c(C(C)(C)C)c(C(C)(C)C)n(P(P)PP)c1C.Cc1c(P(P)PP)c(C(C)(C)C)c(C(C)(C)C)n1C.Cc1nc(C(C)(C)C)c(C(C)(C)C)n1P(P)PP.Cc1nc(P(P)PP)c(C(C)(C)C)n1C(C)(C)C.Cc1nc(P(P)PP)n(C(C)(C)C)c1C(C)(C)C.Cc1nn(P(P)PP)c(C(C)(C)C)c1C(C)(C)C.Cn1nc(P(P)PP)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/2C14H29NP4.5C12H26N2P4.C11H23NOP4.C11H23NP4S.C10H23N3P4/c1-9-11(19(17)18-16)10(13(2,3)4)12(15(9)8)14(5,6)7;1-9-10(2)15(19(17)18-16)12(14(6,7)8)11(9)13(3,4)5;1-11(2,3)8-9(12(4,5)6)14(7)13-10(8)18(16)17-15;1-8-13-10(18(16)17-15)9(11(2,3)4)14(8)12(5,6)7;1-8-13-9(11(2,3)4)10(12(5,6)7)14(8)18(16)17-15;1-8-9(11(2,3)4)14(12(5,6)7)10(13-8)18(16)17-15;1-8-9(11(2,3)4)10(12(5,6)7)14(13-8)18(16)17-15;1-10(2,3)7-8(11(4,5)6)13-12-9(7)17(15)16-14;1-10(2,3)7-8(11(4,5)6)17-12-9(7)16(14)15-13;1-9(2,3)7-8(10(4,5)6)13(12-11-7)17(15)16-14/h2*18H,16-17H2,1-8H3;5*17H,15-16H2,1-7H3;16H,14-15H2,1-6H3;15H,13-14H2,1-6H3;16H,14-15H2,1-6H3
InChIKeySJJSMOHJDJJKPL-UHFFFAOYSA-N
XLogP48.95
TPSA168.59 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003225.52
LogP ≤ 548.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze (2,3-ditert-butyl-4,5-dimethylpyrrol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-dimethylpyrrol-3-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-2-methylimidazol-4-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-4-methylimidazol-2-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-2-methylimidazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1-methylpyrazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-3-methylpyrazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-oxazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-thiazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyltriazol-1-yl)-(diphosphanyl)-phosphanylphosphane with MolForge

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Launch Full Analysis

Related Compounds

(2,3-Ditert-butyl-4,5-dimethylpyrrol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-dimethylpyrrol-3-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-2-methylimidazol-4-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-4-methylimidazol-2-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-2-methylimidazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1-methylpyrazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-3-methylpyrazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-oxazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyltriazol-1-yl)-(diphosphanyl)-phosphanylphosphane
CID 157798680
Bis(1,5-ditert-butyl-2,4-dimethylimidazole);4,5-ditert-butyl-1,2-dimethylimidazole;bis(4,5-ditert-butyl-1,3-dimethylpyrazole);4,5-ditert-butyl-3-methyl-1,2-oxazole;4,5-ditert-butyl-1-methyltriazole;bis(2,3-ditert-butyl-1,4,5-trimethylpyrrole)
CID 159342822
Bis(1,5-ditert-butyl-2,4-dimethylimidazole);4,5-ditert-butyl-1,2-dimethylimidazole;bis(4,5-ditert-butyl-1,3-dimethylpyrazole);4,5-ditert-butyl-3-methyl-1,2-oxazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;bis(2,3-ditert-butyl-1,4,5-trimethylpyrrole)
CID 161111653
4-tert-butyl-2,5-dimethyl-1-propan-2-ylimidazole;4-tert-butyl-3,5-dimethyl-1-propan-2-ylpyrazole;2,4-ditert-butyl-3,5-dimethyl-1,2-oxazol-2-ium;3,5-ditert-butyl-4,6-dimethyl-1H-pyridin-2-one;2,4-ditert-butyl-3,5-dimethyl-1H-pyrrole;2,5-ditert-butyl-3,4-dimethyl-1H-pyrrole;2,4-ditert-butyl-3,5-dimethyl-1,2-thiazol-2-ium;4,5-dimethyl-1,3-di(propan-2-yl)pyrazole
CID 163760437
1,4-ditert-butyl-2,5-dimethylimidazole;2,4-ditert-butyl-3,5-dimethyl-1,2-oxazol-2-ium;1,3-ditert-butyl-4,5-dimethylpyrazole;1,4-ditert-butyl-3,5-dimethylpyrazole;3,5-ditert-butyl-4,6-dimethyl-1H-pyridin-2-one;2,4-ditert-butyl-3,5-dimethyl-1H-pyrrole;2,5-ditert-butyl-3,4-dimethyl-1H-pyrrole;2,4-ditert-butyl-3,5-dimethyl-1,2-thiazol-2-ium
CID 163973033

Frequently Asked Questions

What is the IUPAC name of (2,3-ditert-butyl-4,5-dimethylpyrrol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-dimethylpyrrol-3-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-2-methylimidazol-4-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-4-methylimidazol-2-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-2-methylimidazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1-methylpyrazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-3-methylpyrazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-oxazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-thiazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyltriazol-1-yl)-(diphosphanyl)-phosphanylphosphane?
The IUPAC name of (2,3-ditert-butyl-4,5-dimethylpyrrol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-dimethylpyrrol-3-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-2-methylimidazol-4-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-4-methylimidazol-2-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-2-methylimidazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1-methylpyrazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-3-methylpyrazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-oxazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-thiazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyltriazol-1-yl)-(diphosphanyl)-phosphanylphosphane (CID 160852049) is (2,3-ditert-butyl-4,5-dimethylpyrrol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-dimethylpyrrol-3-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-2-methylimidazol-4-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-4-methylimidazol-2-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-2-methylimidazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1-methylpyrazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-3-methylpyrazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-oxazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-thiazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyltriazol-1-yl)-(diphosphanyl)-phosphanylphosphane.
What is the SMILES notation for (2,3-ditert-butyl-4,5-dimethylpyrrol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-dimethylpyrrol-3-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-2-methylimidazol-4-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-4-methylimidazol-2-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-2-methylimidazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1-methylpyrazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-3-methylpyrazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-oxazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-thiazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyltriazol-1-yl)-(diphosphanyl)-phosphanylphosphane?
The canonical SMILES for (2,3-ditert-butyl-4,5-dimethylpyrrol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-dimethylpyrrol-3-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-2-methylimidazol-4-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-4-methylimidazol-2-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-2-methylimidazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1-methylpyrazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-3-methylpyrazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-oxazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-thiazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyltriazol-1-yl)-(diphosphanyl)-phosphanylphosphane is CC(C)(C)c1nnn(P(P)PP)c1C(C)(C)C.CC(C)(C)c1onc(P(P)PP)c1C(C)(C)C.CC(C)(C)c1snc(P(P)PP)c1C(C)(C)C.Cc1c(C(C)(C)C)c(C(C)(C)C)n(P(P)PP)c1C.Cc1c(P(P)PP)c(C(C)(C)C)c(C(C)(C)C)n1C.Cc1nc(C(C)(C)C)c(C(C)(C)C)n1P(P)PP.Cc1nc(P(P)PP)c(C(C)(C)C)n1C(C)(C)C.Cc1nc(P(P)PP)n(C(C)(C)C)c1C(C)(C)C.Cc1nn(P(P)PP)c(C(C)(C)C)c1C(C)(C)C.Cn1nc(P(P)PP)c(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of (2,3-ditert-butyl-4,5-dimethylpyrrol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-dimethylpyrrol-3-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-2-methylimidazol-4-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-4-methylimidazol-2-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-2-methylimidazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1-methylpyrazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-3-methylpyrazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-oxazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-thiazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyltriazol-1-yl)-(diphosphanyl)-phosphanylphosphane?
The InChIKey is SJJSMOHJDJJKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H29NP4.5C12H26N2P4.C11H23NOP4.C11H23NP4S.C10H23N3P4/c1-9-11(19(17)18-16)10(13(2,3)4)12(15(9)8)14(5,6)7;1-9-10(2)15(19(17)18-16)12(14(6,7)8)11(9)13(3,4)5;1-11(2,3)8-9(12(4,5)6)14(7)13-10(8)18(16)17-15;1-8-13-10(18(16)17-15)9(11(2,3)4)14(8)12(5,6)7;1-8-13-9(11(2,3)4)10(12(5,6)7)14(8)18(16)17-15;1-8-9(11(2,3)4)14(12(5,6)7)10(13-8)18(16)17-15;1-8-9(11(2,3)4)10(12(5,6)7)14(13-8)18(16)17-15;1-10(2,3)7-8(11(4,5)6)13-12-9(7)17(15)16-14;1-10(2,3)7-8(11(4,5)6)17-12-9(7)16(14)15-13;1-9(2,3)7-8(10(4,5)6)13(12-11-7)17(15)16-14/h2*18H,16-17H2,1-8H3;5*17H,15-16H2,1-7H3;16H,14-15H2,1-6H3;15H,13-14H2,1-6H3;16H,14-15H2,1-6H3.
What are the key properties of (2,3-ditert-butyl-4,5-dimethylpyrrol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-dimethylpyrrol-3-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-2-methylimidazol-4-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-4-methylimidazol-2-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-2-methylimidazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1-methylpyrazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-3-methylpyrazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-oxazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-thiazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyltriazol-1-yl)-(diphosphanyl)-phosphanylphosphane?
(2,3-ditert-butyl-4,5-dimethylpyrrol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-dimethylpyrrol-3-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-2-methylimidazol-4-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-4-methylimidazol-2-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-2-methylimidazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1-methylpyrazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-3-methylpyrazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-oxazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-thiazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyltriazol-1-yl)-(diphosphanyl)-phosphanylphosphane has a molecular weight of 3225.52 g/mol, XLogP of 48.95, 20 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-ditert-butyl-4,5-dimethylpyrrol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-dimethylpyrrol-3-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-2-methylimidazol-4-yl)-(diphosphanyl)-phosphanylphosphane;(1,5-ditert-butyl-4-methylimidazol-2-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-2-methylimidazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1-methylpyrazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-3-methylpyrazol-1-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-oxazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyl-1,2-thiazol-3-yl)-(diphosphanyl)-phosphanylphosphane;(4,5-ditert-butyltriazol-1-yl)-(diphosphanyl)-phosphanylphosphane is sourced from PubChem (CID 160852049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).