bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;5-methyl-2-(methylsulfonylmethyl)benzoic acid;N-[4-methyl-2-[2-(8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;8-morpholin-4-yl-5-piperidin-2-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene

C55H107N11O11P34S2 — CID 159219865

About bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;5-methyl-2-(methylsulfonylmethyl)benzoic acid;N-[4-methyl-2-[2-(8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;8-morpholin-4-yl-5-piperidin-2-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene

bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;5-methyl-2-(methylsulfonylmethyl)benzoic acid;N-[4-methyl-2-[2-(8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;8-morpholin-4-yl-5-piperidin-2-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene (PubChem CID 159219865) has the molecular formula C55H107N11O11P34S2 and a molecular weight of 2215.78 g/mol. Its IUPAC name is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;5-methyl-2-(methylsulfonylmethyl)benzoic acid;N-[4-methyl-2-[2-(8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;8-morpholin-4-yl-5-piperidin-2-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene.

Molecular Properties

• Compound Name: bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;5-methyl-2-(methylsulfonylmethyl)benzoic acid;N-[4-methyl-2-[2-(8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;8-morpholin-4-yl-5-piperidin-2-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene
• PubChem CID: 159219865
• Molecular Formula: C55H107N11O11P34S2
• Molecular Weight: 2215.78 g/mol
• Exact Mass: 2214.87
• IUPAC Name: bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;5-methyl-2-(methylsulfonylmethyl)benzoic acid;N-[4-methyl-2-[2-(8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;8-morpholin-4-yl-5-piperidin-2-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene
• SMILES: Cc1ccc(CS(C)(=O)=O)c(C(=O)O)c1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCCC2c2cc3nc4c(c(N5CCOCC5)n3n2)COCC4)c1.PP(P)P(P(P)P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.c1c(C2CCCCN2)nn2c(N3CCOCC3)c3c(nc12)CCOC3
• InChI: InChI=1S/C27H34N6O5S.C18H25N5O2.C10H12O4S.H36P34/c1-18-6-7-22(30-39(2,35)36)19(15-18)27(34)32-9-4-3-5-24(32)23-16-25-28-21-8-12-38-17-20(21)26(33(25)29-23)31-10-13-37-14-11-31;1-2-5-19-15(3-1)16-11-17-20-14-4-8-25-12-13(14)18(23(17)21-16)22-6-9-24-10-7-22;1-7-3-4-8(6-15(2,13)14)9(5-7)10(11)12;1-19(2)28(20(3)4)32(27(17)18)34(31(25(13)14)26(15)16)33(29(21(5)6)22(7)8)30(23(9)10)24(11)12/h6-7,15-16,24,30H,3-5,8-14,17H2,1-2H3;11,15,19H,1-10,12H2;3-5H,6H2,1-2H3,(H,11,12);1-18H2
• InChIKey: KRNXCEVIOHJXNR-UHFFFAOYSA-N
• XLogP: 25.02
• TPSA: 253.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 25
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2215.78
LogP ≤ 5	25.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;5-methyl-2-(methylsulfonylmethyl)benzoic acid;N-[4-methyl-2-[2-(8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;8-morpholin-4-yl-5-piperidin-2-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene?

The IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;5-methyl-2-(methylsulfonylmethyl)benzoic acid;N-[4-methyl-2-[2-(8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;8-morpholin-4-yl-5-piperidin-2-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene (CID 159219865) is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;5-methyl-2-(methylsulfonylmethyl)benzoic acid;N-[4-methyl-2-[2-(8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;8-morpholin-4-yl-5-piperidin-2-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene.

What is the SMILES notation for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;5-methyl-2-(methylsulfonylmethyl)benzoic acid;N-[4-methyl-2-[2-(8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;8-morpholin-4-yl-5-piperidin-2-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene?

The canonical SMILES for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;5-methyl-2-(methylsulfonylmethyl)benzoic acid;N-[4-methyl-2-[2-(8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;8-morpholin-4-yl-5-piperidin-2-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene is Cc1ccc(CS(C)(=O)=O)c(C(=O)O)c1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCCC2c2cc3nc4c(c(N5CCOCC5)n3n2)COCC4)c1.PP(P)P(P(P)P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.c1c(C2CCCCN2)nn2c(N3CCOCC3)c3c(nc12)CCOC3.

What is the InChIKey of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;5-methyl-2-(methylsulfonylmethyl)benzoic acid;N-[4-methyl-2-[2-(8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;8-morpholin-4-yl-5-piperidin-2-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene?

The InChIKey is KRNXCEVIOHJXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O5S.C18H25N5O2.C10H12O4S.H36P34/c1-18-6-7-22(30-39(2,35)36)19(15-18)27(34)32-9-4-3-5-24(32)23-16-25-28-21-8-12-38-17-20(21)26(33(25)29-23)31-10-13-37-14-11-31;1-2-5-19-15(3-1)16-11-17-20-14-4-8-25-12-13(14)18(23(17)21-16)22-6-9-24-10-7-22;1-7-3-4-8(6-15(2,13)14)9(5-7)10(11)12;1-19(2)28(20(3)4)32(27(17)18)34(31(25(13)14)26(15)16)33(29(21(5)6)22(7)8)30(23(9)10)24(11)12/h6-7,15-16,24,30H,3-5,8-14,17H2,1-2H3;11,15,19H,1-10,12H2;3-5H,6H2,1-2H3,(H,11,12);1-18H2.

What are the key properties of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;5-methyl-2-(methylsulfonylmethyl)benzoic acid;N-[4-methyl-2-[2-(8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;8-morpholin-4-yl-5-piperidin-2-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene?

bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;5-methyl-2-(methylsulfonylmethyl)benzoic acid;N-[4-methyl-2-[2-(8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;8-morpholin-4-yl-5-piperidin-2-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene has a molecular weight of 2215.78 g/mol, XLogP of 25.02, 25 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;5-methyl-2-(methylsulfonylmethyl)benzoic acid;N-[4-methyl-2-[2-(8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;8-morpholin-4-yl-5-piperidin-2-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene is sourced from PubChem (CID 159219865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).