methoxycarbonylazanide;[25-(oxomethylphosphanyl)-7,9,24,26-tetrazaoctacyclo[15.15.0.02,14.05,13.06,10.019,31.020,28.023,27]dotriaconta-1(17),2(14),3,5(13),6(10),7,18,20(28),23(27),25,29,31-dodecaen-8-yl]phosphanylmethanone;bis(vanadium(2+))

C34H30N6O6P2V2 — CID 59611427

About methoxycarbonylazanide;[25-(oxomethylphosphanyl)-7,9,24,26-tetrazaoctacyclo[15.15.0.02,14.05,13.06,10.019,31.020,28.023,27]dotriaconta-1(17),2(14),3,5(13),6(10),7,18,20(28),23(27),25,29,31-dodecaen-8-yl]phosphanylmethanone;bis(vanadium(2+))

methoxycarbonylazanide;[25-(oxomethylphosphanyl)-7,9,24,26-tetrazaoctacyclo[15.15.0.02,14.05,13.06,10.019,31.020,28.023,27]dotriaconta-1(17),2(14),3,5(13),6(10),7,18,20(28),23(27),25,29,31-dodecaen-8-yl]phosphanylmethanone;bis(vanadium(2+)) (PubChem CID 59611427) has the molecular formula C34H30N6O6P2V2 and a molecular weight of 782.49 g/mol. Its IUPAC name is methoxycarbonylazanide;[25-(oxomethylphosphanyl)-7,9,24,26-tetrazaoctacyclo[15.15.0.02,14.05,13.06,10.019,31.020,28.023,27]dotriaconta-1(17),2(14),3,5(13),6(10),7,18,20(28),23(27),25,29,31-dodecaen-8-yl]phosphanylmethanone;bis(vanadium(2+)).

Molecular Properties

• Compound Name: methoxycarbonylazanide;[25-(oxomethylphosphanyl)-7,9,24,26-tetrazaoctacyclo[15.15.0.02,14.05,13.06,10.019,31.020,28.023,27]dotriaconta-1(17),2(14),3,5(13),6(10),7,18,20(28),23(27),25,29,31-dodecaen-8-yl]phosphanylmethanone;bis(vanadium(2+))
• PubChem CID: 59611427
• Molecular Formula: C34H30N6O6P2V2
• Molecular Weight: 782.49 g/mol
• Exact Mass: 782.06
• IUPAC Name: methoxycarbonylazanide;[25-(oxomethylphosphanyl)-7,9,24,26-tetrazaoctacyclo[15.15.0.02,14.05,13.06,10.019,31.020,28.023,27]dotriaconta-1(17),2(14),3,5(13),6(10),7,18,20(28),23(27),25,29,31-dodecaen-8-yl]phosphanylmethanone;bis(vanadium(2+))
• SMILES: COC([NH-])=O.COC([NH-])=O.O=[C-]Pc1nc2c([nH]1)CCc1c-2ccc2c1CCc1cc3c4c(ccc3cc1-2)-c1nc(P[C-]=O)[nH]c1CC4.[V+2].[V+2]
• InChI: InChI=1S/C30H22N4O2P2.2C2H5NO2.2V/c35-13-37-29-32-26-10-8-20-21(27(26)33-29)4-2-16-11-23-15(12-24(16)20)1-3-17-18-7-9-25-28(22(18)6-5-19(17)23)34-30(31-25)38-14-36;2*1-5-2(3)4;;/h2,4-6,11-12,37-38H,1,3,7-10H2,(H,31,34)(H,32,33);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2
• InChIKey: KMXLLAQSVACPOV-UHFFFAOYSA-L
• XLogP: 5.93
• TPSA: 191.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.49
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methoxycarbonylazanide;[25-(oxomethylphosphanyl)-7,9,24,26-tetrazaoctacyclo[15.15.0.02,14.05,13.06,10.019,31.020,28.023,27]dotriaconta-1(17),2(14),3,5(13),6(10),7,18,20(28),23(27),25,29,31-dodecaen-8-yl]phosphanylmethanone;bis(vanadium(2+))?

The IUPAC name of methoxycarbonylazanide;[25-(oxomethylphosphanyl)-7,9,24,26-tetrazaoctacyclo[15.15.0.02,14.05,13.06,10.019,31.020,28.023,27]dotriaconta-1(17),2(14),3,5(13),6(10),7,18,20(28),23(27),25,29,31-dodecaen-8-yl]phosphanylmethanone;bis(vanadium(2+)) (CID 59611427) is methoxycarbonylazanide;[25-(oxomethylphosphanyl)-7,9,24,26-tetrazaoctacyclo[15.15.0.02,14.05,13.06,10.019,31.020,28.023,27]dotriaconta-1(17),2(14),3,5(13),6(10),7,18,20(28),23(27),25,29,31-dodecaen-8-yl]phosphanylmethanone;bis(vanadium(2+)).

What is the SMILES notation for methoxycarbonylazanide;[25-(oxomethylphosphanyl)-7,9,24,26-tetrazaoctacyclo[15.15.0.02,14.05,13.06,10.019,31.020,28.023,27]dotriaconta-1(17),2(14),3,5(13),6(10),7,18,20(28),23(27),25,29,31-dodecaen-8-yl]phosphanylmethanone;bis(vanadium(2+))?

The canonical SMILES for methoxycarbonylazanide;[25-(oxomethylphosphanyl)-7,9,24,26-tetrazaoctacyclo[15.15.0.02,14.05,13.06,10.019,31.020,28.023,27]dotriaconta-1(17),2(14),3,5(13),6(10),7,18,20(28),23(27),25,29,31-dodecaen-8-yl]phosphanylmethanone;bis(vanadium(2+)) is COC([NH-])=O.COC([NH-])=O.O=[C-]Pc1nc2c([nH]1)CCc1c-2ccc2c1CCc1cc3c4c(ccc3cc1-2)-c1nc(P[C-]=O)[nH]c1CC4.[V+2].[V+2].

What is the InChIKey of methoxycarbonylazanide;[25-(oxomethylphosphanyl)-7,9,24,26-tetrazaoctacyclo[15.15.0.02,14.05,13.06,10.019,31.020,28.023,27]dotriaconta-1(17),2(14),3,5(13),6(10),7,18,20(28),23(27),25,29,31-dodecaen-8-yl]phosphanylmethanone;bis(vanadium(2+))?

The InChIKey is KMXLLAQSVACPOV-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H22N4O2P2.2C2H5NO2.2V/c35-13-37-29-32-26-10-8-20-21(27(26)33-29)4-2-16-11-23-15(12-24(16)20)1-3-17-18-7-9-25-28(22(18)6-5-19(17)23)34-30(31-25)38-14-36;2*1-5-2(3)4;;/h2,4-6,11-12,37-38H,1,3,7-10H2,(H,31,34)(H,32,33);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2.

What are the key properties of methoxycarbonylazanide;[25-(oxomethylphosphanyl)-7,9,24,26-tetrazaoctacyclo[15.15.0.02,14.05,13.06,10.019,31.020,28.023,27]dotriaconta-1(17),2(14),3,5(13),6(10),7,18,20(28),23(27),25,29,31-dodecaen-8-yl]phosphanylmethanone;bis(vanadium(2+))?

methoxycarbonylazanide;[25-(oxomethylphosphanyl)-7,9,24,26-tetrazaoctacyclo[15.15.0.02,14.05,13.06,10.019,31.020,28.023,27]dotriaconta-1(17),2(14),3,5(13),6(10),7,18,20(28),23(27),25,29,31-dodecaen-8-yl]phosphanylmethanone;bis(vanadium(2+)) has a molecular weight of 782.49 g/mol, XLogP of 5.93, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methoxycarbonylazanide;[25-(oxomethylphosphanyl)-7,9,24,26-tetrazaoctacyclo[15.15.0.02,14.05,13.06,10.019,31.020,28.023,27]dotriaconta-1(17),2(14),3,5(13),6(10),7,18,20(28),23(27),25,29,31-dodecaen-8-yl]phosphanylmethanone;bis(vanadium(2+)) is sourced from PubChem (CID 59611427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).