bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;tert-butyl 2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate;methane;2-(methanesulfonamido)-5-methylbenzoic acid;N-[4-methyl-2-[2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;2-piperidin-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one

C69H108N14O12P14S2 — CID 158737192

About bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;tert-butyl 2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate;methane;2-(methanesulfonamido)-5-methylbenzoic acid;N-[4-methyl-2-[2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;2-piperidin-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one

bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;tert-butyl 2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate;methane;2-(methanesulfonamido)-5-methylbenzoic acid;N-[4-methyl-2-[2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;2-piperidin-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (PubChem CID 158737192) has the molecular formula C69H108N14O12P14S2 and a molecular weight of 1823.48 g/mol. Its IUPAC name is bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;tert-butyl 2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate;methane;2-(methanesulfonamido)-5-methylbenzoic acid;N-[4-methyl-2-[2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;2-piperidin-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.

Molecular Properties

• Compound Name: bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;tert-butyl 2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate;methane;2-(methanesulfonamido)-5-methylbenzoic acid;N-[4-methyl-2-[2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;2-piperidin-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
• PubChem CID: 158737192
• Molecular Formula: C69H108N14O12P14S2
• Molecular Weight: 1823.48 g/mol
• Exact Mass: 1822.40
• IUPAC Name: bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;tert-butyl 2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate;methane;2-(methanesulfonamido)-5-methylbenzoic acid;N-[4-methyl-2-[2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;2-piperidin-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
• SMILES: C.CC(C)(C)OC(=O)N1CCCCC1c1cc2nc3c(c(=O)n2[nH]1)CCCC3.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCCC2c2cc3nc4c(c(=O)n3[nH]2)CCCC4)c1.Cc1ccc(NS(C)(=O)=O)c(C(=O)O)c1.O=c1c2c(nc3cc(C4CCCCN4)[nH]n13)CCCC2.PP(P)P(P(P)P)P(P(P)P)P(P)P
• InChI: InChI=1S/C24H29N5O4S.C20H28N4O3.C15H20N4O.C9H11NO4S.CH4.H16P14/c1-15-10-11-19(27-34(2,32)33)17(13-15)23(30)28-12-6-5-9-21(28)20-14-22-25-18-8-4-3-7-16(18)24(31)29(22)26-20;1-20(2,3)27-19(26)23-11-7-6-10-16(23)15-12-17-21-14-9-5-4-8-13(14)18(25)24(17)22-15;20-15-10-5-1-2-6-11(10)17-14-9-13(18-19(14)15)12-7-3-4-8-16-12;1-6-3-4-8(10-15(2,13)14)7(5-6)9(11)12;;1-9(2)13(10(3)4)14(11(5)6)12(7)8/h10-11,13-14,21,26-27H,3-9,12H2,1-2H3;12,16,22H,4-11H2,1-3H3;9,12,16,18H,1-8H2;3-5,10H,1-2H3,(H,11,12);1H4;1-8H2
• InChIKey: QTAOCBIYEPXUOD-UHFFFAOYSA-N
• XLogP: 17.50
• TPSA: 342.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1823.48
LogP ≤ 5	17.50
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;tert-butyl 2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate;methane;2-(methanesulfonamido)-5-methylbenzoic acid;N-[4-methyl-2-[2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;2-piperidin-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?

The IUPAC name of bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;tert-butyl 2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate;methane;2-(methanesulfonamido)-5-methylbenzoic acid;N-[4-methyl-2-[2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;2-piperidin-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (CID 158737192) is bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;tert-butyl 2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate;methane;2-(methanesulfonamido)-5-methylbenzoic acid;N-[4-methyl-2-[2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;2-piperidin-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.

What is the SMILES notation for bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;tert-butyl 2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate;methane;2-(methanesulfonamido)-5-methylbenzoic acid;N-[4-methyl-2-[2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;2-piperidin-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?

The canonical SMILES for bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;tert-butyl 2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate;methane;2-(methanesulfonamido)-5-methylbenzoic acid;N-[4-methyl-2-[2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;2-piperidin-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is C.CC(C)(C)OC(=O)N1CCCCC1c1cc2nc3c(c(=O)n2[nH]1)CCCC3.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCCC2c2cc3nc4c(c(=O)n3[nH]2)CCCC4)c1.Cc1ccc(NS(C)(=O)=O)c(C(=O)O)c1.O=c1c2c(nc3cc(C4CCCCN4)[nH]n13)CCCC2.PP(P)P(P(P)P)P(P(P)P)P(P)P.

What is the InChIKey of bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;tert-butyl 2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate;methane;2-(methanesulfonamido)-5-methylbenzoic acid;N-[4-methyl-2-[2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;2-piperidin-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?

The InChIKey is QTAOCBIYEPXUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S.C20H28N4O3.C15H20N4O.C9H11NO4S.CH4.H16P14/c1-15-10-11-19(27-34(2,32)33)17(13-15)23(30)28-12-6-5-9-21(28)20-14-22-25-18-8-4-3-7-16(18)24(31)29(22)26-20;1-20(2,3)27-19(26)23-11-7-6-10-16(23)15-12-17-21-14-9-5-4-8-13(14)18(25)24(17)22-15;20-15-10-5-1-2-6-11(10)17-14-9-13(18-19(14)15)12-7-3-4-8-16-12;1-6-3-4-8(10-15(2,13)14)7(5-6)9(11)12;;1-9(2)13(10(3)4)14(11(5)6)12(7)8/h10-11,13-14,21,26-27H,3-9,12H2,1-2H3;12,16,22H,4-11H2,1-3H3;9,12,16,18H,1-8H2;3-5,10H,1-2H3,(H,11,12);1H4;1-8H2.

What are the key properties of bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;tert-butyl 2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate;methane;2-(methanesulfonamido)-5-methylbenzoic acid;N-[4-methyl-2-[2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;2-piperidin-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?

bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;tert-butyl 2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate;methane;2-(methanesulfonamido)-5-methylbenzoic acid;N-[4-methyl-2-[2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;2-piperidin-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one has a molecular weight of 1823.48 g/mol, XLogP of 17.50, 14 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;tert-butyl 2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate;methane;2-(methanesulfonamido)-5-methylbenzoic acid;N-[4-methyl-2-[2-(9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;2-piperidin-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 158737192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).