[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl] 2-(methylamino)-4-nitrobutanoate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 5-methoxy-3,4-dihydro-2H-pyrrole-2-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate

C31H96N9O17P53 — CID 157332345

IUPAC[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl] 2-(methylamino)-4-nitrobutanoate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 5-methoxy-3,4-dihydro-2H-pyrrole-2-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate
SMILESCNC(CC[N+](=O)[O-])C(=O)OP(P(PP)P(P)P)P(P(P)P)P(P)P.CNC1CC([N+](=O)[O-])=C2CCC(C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P)N2C1=O.CNc1cc([N+](=O)[O-])c2n(c1=O)C(C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P)CC2.COC1=NC(C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P)CC1
InChIInChI=1S/C10H26N3O5P13.C10H24N3O5P13.C6H22NO3P13.C5H24N2O4P14/c2*1-11-5-4-8(13(16)17)6-2-3-7(12(6)9(5)14)10(15)18-26(30(25)27(19)20)31(28(21)22)29(23)24;1-9-5-3-2-4(7-5)6(8)10-18(22(17)19(11)12)23(20(13)14)21(15)16;1-6-4(2-3-7(9)10)5(8)11-20(24(19-12)21(13)14)25(22(15)16)23(17)18/h5,7,11H,2-4,19-25H2,1H3;4,7,11H,2-3,19-25H2,1H3;4H,2-3,11-17H2,1H3;4,6,19H,2-3,12-18H2,1H3
InChIKeyBFKXLYRFMLPHLQ-UHFFFAOYSA-N
MW2508.78 g/mol
LogP29.59
Rot. Bonds37

About [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl] 2-(methylamino)-4-nitrobutanoate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 5-methoxy-3,4-dihydro-2H-pyrrole-2-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate

[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl] 2-(methylamino)-4-nitrobutanoate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 5-methoxy-3,4-dihydro-2H-pyrrole-2-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate (PubChem CID 157332345) has the molecular formula C31H96N9O17P53 and a molecular weight of 2508.78 g/mol. Its IUPAC name is [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl] 2-(methylamino)-4-nitrobutanoate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 5-methoxy-3,4-dihydro-2H-pyrrole-2-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate.

Molecular Properties

Compound Name[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl] 2-(methylamino)-4-nitrobutanoate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 5-methoxy-3,4-dihydro-2H-pyrrole-2-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate
PubChem CID157332345
Molecular FormulaC31H96N9O17P53
Molecular Weight2508.78 g/mol
Exact Mass2508.30
IUPAC Name[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl] 2-(methylamino)-4-nitrobutanoate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 5-methoxy-3,4-dihydro-2H-pyrrole-2-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate
SMILESCNC(CC[N+](=O)[O-])C(=O)OP(P(PP)P(P)P)P(P(P)P)P(P)P.CNC1CC([N+](=O)[O-])=C2CCC(C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P)N2C1=O.CNc1cc([N+](=O)[O-])c2n(c1=O)C(C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P)CC2.COC1=NC(C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P)CC1
InChIInChI=1S/C10H26N3O5P13.C10H24N3O5P13.C6H22NO3P13.C5H24N2O4P14/c2*1-11-5-4-8(13(16)17)6-2-3-7(12(6)9(5)14)10(15)18-26(30(25)27(19)20)31(28(21)22)29(23)24;1-9-5-3-2-4(7-5)6(8)10-18(22(17)19(11)12)23(20(13)14)21(15)16;1-6-4(2-3-7(9)10)5(8)11-20(24(19-12)21(13)14)25(22(15)16)23(17)18/h5,7,11H,2-4,19-25H2,1H3;4,7,11H,2-3,19-25H2,1H3;4H,2-3,11-17H2,1H3;4,6,19H,2-3,12-18H2,1H3
InChIKeyBFKXLYRFMLPHLQ-UHFFFAOYSA-N
XLogP29.59
TPSA334.61 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds37
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002508.78
LogP ≤ 529.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl] 2-(methylamino)-4-nitrobutanoate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 5-methoxy-3,4-dihydro-2H-pyrrole-2-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl] 2-(methylamino)-4-nitrobutanoate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 5-methoxy-3,4-dihydro-2H-pyrrole-2-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate?
The IUPAC name of [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl] 2-(methylamino)-4-nitrobutanoate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 5-methoxy-3,4-dihydro-2H-pyrrole-2-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate (CID 157332345) is [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl] 2-(methylamino)-4-nitrobutanoate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 5-methoxy-3,4-dihydro-2H-pyrrole-2-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate.
What is the SMILES notation for [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl] 2-(methylamino)-4-nitrobutanoate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 5-methoxy-3,4-dihydro-2H-pyrrole-2-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate?
The canonical SMILES for [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl] 2-(methylamino)-4-nitrobutanoate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 5-methoxy-3,4-dihydro-2H-pyrrole-2-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate is CNC(CC[N+](=O)[O-])C(=O)OP(P(PP)P(P)P)P(P(P)P)P(P)P.CNC1CC([N+](=O)[O-])=C2CCC(C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P)N2C1=O.CNc1cc([N+](=O)[O-])c2n(c1=O)C(C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P)CC2.COC1=NC(C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P)CC1.
What is the InChIKey of [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl] 2-(methylamino)-4-nitrobutanoate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 5-methoxy-3,4-dihydro-2H-pyrrole-2-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate?
The InChIKey is BFKXLYRFMLPHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N3O5P13.C10H24N3O5P13.C6H22NO3P13.C5H24N2O4P14/c2*1-11-5-4-8(13(16)17)6-2-3-7(12(6)9(5)14)10(15)18-26(30(25)27(19)20)31(28(21)22)29(23)24;1-9-5-3-2-4(7-5)6(8)10-18(22(17)19(11)12)23(20(13)14)21(15)16;1-6-4(2-3-7(9)10)5(8)11-20(24(19-12)21(13)14)25(22(15)16)23(17)18/h5,7,11H,2-4,19-25H2,1H3;4,7,11H,2-3,19-25H2,1H3;4H,2-3,11-17H2,1H3;4,6,19H,2-3,12-18H2,1H3.
What are the key properties of [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl] 2-(methylamino)-4-nitrobutanoate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 5-methoxy-3,4-dihydro-2H-pyrrole-2-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate?
[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl] 2-(methylamino)-4-nitrobutanoate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 5-methoxy-3,4-dihydro-2H-pyrrole-2-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate has a molecular weight of 2508.78 g/mol, XLogP of 29.59, 37 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl] 2-(methylamino)-4-nitrobutanoate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 5-methoxy-3,4-dihydro-2H-pyrrole-2-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 157332345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).