carbazole-9-carbonyloxymethyl carbazole-9-carboxylate;2,2-difluorobutyl hypofluorite;1,1-difluoro-1-(1,1,2,2,3-pentafluoropropoxy)butane;tetrakis(1-[2-[difluoro(propoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]propane);(4-isocyanobenzoyl)oxymethyl 4-cyanobenzoate;methane;bis(naphthalene-1-carbonyloxymethyl naphthalene-1-carboxylate);quinoline-6-carbonyloxymethyl quinoline-6-carboxylate

C168H186F34N6O34 — CID 159154843

About carbazole-9-carbonyloxymethyl carbazole-9-carboxylate;2,2-difluorobutyl hypofluorite;1,1-difluoro-1-(1,1,2,2,3-pentafluoropropoxy)butane;tetrakis(1-[2-[difluoro(propoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]propane);(4-isocyanobenzoyl)oxymethyl 4-cyanobenzoate;methane;bis(naphthalene-1-carbonyloxymethyl naphthalene-1-carboxylate);quinoline-6-carbonyloxymethyl quinoline-6-carboxylate

carbazole-9-carbonyloxymethyl carbazole-9-carboxylate;2,2-difluorobutyl hypofluorite;1,1-difluoro-1-(1,1,2,2,3-pentafluoropropoxy)butane;tetrakis(1-[2-[difluoro(propoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]propane);(4-isocyanobenzoyl)oxymethyl 4-cyanobenzoate;methane;bis(naphthalene-1-carbonyloxymethyl naphthalene-1-carboxylate);quinoline-6-carbonyloxymethyl quinoline-6-carboxylate (PubChem CID 159154843) has the molecular formula C168H186F34N6O34 and a molecular weight of 3479.28 g/mol. Its IUPAC name is carbazole-9-carbonyloxymethyl carbazole-9-carboxylate;2,2-difluorobutyl hypofluorite;1,1-difluoro-1-(1,1,2,2,3-pentafluoropropoxy)butane;tetrakis(1-[2-[difluoro(propoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]propane);(4-isocyanobenzoyl)oxymethyl 4-cyanobenzoate;methane;bis(naphthalene-1-carbonyloxymethyl naphthalene-1-carboxylate);quinoline-6-carbonyloxymethyl quinoline-6-carboxylate.

Molecular Properties

• Compound Name: carbazole-9-carbonyloxymethyl carbazole-9-carboxylate;2,2-difluorobutyl hypofluorite;1,1-difluoro-1-(1,1,2,2,3-pentafluoropropoxy)butane;tetrakis(1-[2-[difluoro(propoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]propane);(4-isocyanobenzoyl)oxymethyl 4-cyanobenzoate;methane;bis(naphthalene-1-carbonyloxymethyl naphthalene-1-carboxylate);quinoline-6-carbonyloxymethyl quinoline-6-carboxylate
• PubChem CID: 159154843
• Molecular Formula: C168H186F34N6O34
• Molecular Weight: 3479.28 g/mol
• Exact Mass: 3477.25
• IUPAC Name: carbazole-9-carbonyloxymethyl carbazole-9-carboxylate;2,2-difluorobutyl hypofluorite;1,1-difluoro-1-(1,1,2,2,3-pentafluoropropoxy)butane;tetrakis(1-[2-[difluoro(propoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]propane);(4-isocyanobenzoyl)oxymethyl 4-cyanobenzoate;methane;bis(naphthalene-1-carbonyloxymethyl naphthalene-1-carboxylate);quinoline-6-carbonyloxymethyl quinoline-6-carboxylate
• SMILES: C.C.C.C.C.C.C.C.C.C.CCC(F)(F)COF.CCCC(F)(F)OC(F)(F)C(F)(F)CF.CCCOC(F)(F)OC(F)(F)C(F)(F)OCCC.CCCOC(F)(F)OC(F)(F)C(F)(F)OCCC.CCCOC(F)(F)OC(F)(F)C(F)(F)OCCC.CCCOC(F)(F)OC(F)(F)C(F)(F)OCCC.O=C(OCOC(=O)c1ccc2ncccc2c1)c1ccc2ncccc2c1.O=C(OCOC(=O)c1cccc2ccccc12)c1cccc2ccccc12.O=C(OCOC(=O)c1cccc2ccccc12)c1cccc2ccccc12.O=C(OCOC(=O)n1c2ccccc2c2ccccc21)n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(C(=O)OCOC(=O)c2ccc(C#N)cc2)cc1
• InChI: InChI=1S/C27H18N2O4.2C23H16O4.C21H14N2O4.C17H10N2O4.4C9H14F6O3.C7H9F7O.C4H7F3O.10CH4/c30-26(28-22-13-5-1-9-18(22)19-10-2-6-14-23(19)28)32-17-33-27(31)29-24-15-7-3-11-20(24)21-12-4-8-16-25(21)29;2*24-22(20-13-5-9-16-7-1-3-11-18(16)20)26-15-27-23(25)21-14-6-10-17-8-2-4-12-19(17)21;24-20(16-5-7-18-14(11-16)3-1-9-22-18)26-13-27-21(25)17-6-8-19-15(12-17)4-2-10-23-19;1-19-15-8-6-14(7-9-15)17(21)23-11-22-16(20)13-4-2-12(10-18)3-5-13;4*1-3-5-16-7(10,11)8(12,13)18-9(14,15)17-6-4-2;1-2-3-6(11,12)15-7(13,14)5(9,10)4-8;1-2-4(5,6)3-8-7;;;;;;;;;;/h1-16H,17H2;2*1-14H,15H2;1-12H,13H2;2-9H,11H2;4*3-6H2,1-2H3;2-4H2,1H3;2-3H2,1H3;10*1H4
• InChIKey: KJTIYZLAQLLJGG-UHFFFAOYSA-N
• XLogP: 49.55
• TPSA: 456.01 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 63
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3479.28
LogP ≤ 5	49.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbazole-9-carbonyloxymethyl carbazole-9-carboxylate;2,2-difluorobutyl hypofluorite;1,1-difluoro-1-(1,1,2,2,3-pentafluoropropoxy)butane;tetrakis(1-[2-[difluoro(propoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]propane);(4-isocyanobenzoyl)oxymethyl 4-cyanobenzoate;methane;bis(naphthalene-1-carbonyloxymethyl naphthalene-1-carboxylate);quinoline-6-carbonyloxymethyl quinoline-6-carboxylate?

The IUPAC name of carbazole-9-carbonyloxymethyl carbazole-9-carboxylate;2,2-difluorobutyl hypofluorite;1,1-difluoro-1-(1,1,2,2,3-pentafluoropropoxy)butane;tetrakis(1-[2-[difluoro(propoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]propane);(4-isocyanobenzoyl)oxymethyl 4-cyanobenzoate;methane;bis(naphthalene-1-carbonyloxymethyl naphthalene-1-carboxylate);quinoline-6-carbonyloxymethyl quinoline-6-carboxylate (CID 159154843) is carbazole-9-carbonyloxymethyl carbazole-9-carboxylate;2,2-difluorobutyl hypofluorite;1,1-difluoro-1-(1,1,2,2,3-pentafluoropropoxy)butane;tetrakis(1-[2-[difluoro(propoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]propane);(4-isocyanobenzoyl)oxymethyl 4-cyanobenzoate;methane;bis(naphthalene-1-carbonyloxymethyl naphthalene-1-carboxylate);quinoline-6-carbonyloxymethyl quinoline-6-carboxylate.

What is the SMILES notation for carbazole-9-carbonyloxymethyl carbazole-9-carboxylate;2,2-difluorobutyl hypofluorite;1,1-difluoro-1-(1,1,2,2,3-pentafluoropropoxy)butane;tetrakis(1-[2-[difluoro(propoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]propane);(4-isocyanobenzoyl)oxymethyl 4-cyanobenzoate;methane;bis(naphthalene-1-carbonyloxymethyl naphthalene-1-carboxylate);quinoline-6-carbonyloxymethyl quinoline-6-carboxylate?

The canonical SMILES for carbazole-9-carbonyloxymethyl carbazole-9-carboxylate;2,2-difluorobutyl hypofluorite;1,1-difluoro-1-(1,1,2,2,3-pentafluoropropoxy)butane;tetrakis(1-[2-[difluoro(propoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]propane);(4-isocyanobenzoyl)oxymethyl 4-cyanobenzoate;methane;bis(naphthalene-1-carbonyloxymethyl naphthalene-1-carboxylate);quinoline-6-carbonyloxymethyl quinoline-6-carboxylate is C.C.C.C.C.C.C.C.C.C.CCC(F)(F)COF.CCCC(F)(F)OC(F)(F)C(F)(F)CF.CCCOC(F)(F)OC(F)(F)C(F)(F)OCCC.CCCOC(F)(F)OC(F)(F)C(F)(F)OCCC.CCCOC(F)(F)OC(F)(F)C(F)(F)OCCC.CCCOC(F)(F)OC(F)(F)C(F)(F)OCCC.O=C(OCOC(=O)c1ccc2ncccc2c1)c1ccc2ncccc2c1.O=C(OCOC(=O)c1cccc2ccccc12)c1cccc2ccccc12.O=C(OCOC(=O)c1cccc2ccccc12)c1cccc2ccccc12.O=C(OCOC(=O)n1c2ccccc2c2ccccc21)n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(C(=O)OCOC(=O)c2ccc(C#N)cc2)cc1.

What is the InChIKey of carbazole-9-carbonyloxymethyl carbazole-9-carboxylate;2,2-difluorobutyl hypofluorite;1,1-difluoro-1-(1,1,2,2,3-pentafluoropropoxy)butane;tetrakis(1-[2-[difluoro(propoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]propane);(4-isocyanobenzoyl)oxymethyl 4-cyanobenzoate;methane;bis(naphthalene-1-carbonyloxymethyl naphthalene-1-carboxylate);quinoline-6-carbonyloxymethyl quinoline-6-carboxylate?

The InChIKey is KJTIYZLAQLLJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O4.2C23H16O4.C21H14N2O4.C17H10N2O4.4C9H14F6O3.C7H9F7O.C4H7F3O.10CH4/c30-26(28-22-13-5-1-9-18(22)19-10-2-6-14-23(19)28)32-17-33-27(31)29-24-15-7-3-11-20(24)21-12-4-8-16-25(21)29;2*24-22(20-13-5-9-16-7-1-3-11-18(16)20)26-15-27-23(25)21-14-6-10-17-8-2-4-12-19(17)21;24-20(16-5-7-18-14(11-16)3-1-9-22-18)26-13-27-21(25)17-6-8-19-15(12-17)4-2-10-23-19;1-19-15-8-6-14(7-9-15)17(21)23-11-22-16(20)13-4-2-12(10-18)3-5-13;4*1-3-5-16-7(10,11)8(12,13)18-9(14,15)17-6-4-2;1-2-3-6(11,12)15-7(13,14)5(9,10)4-8;1-2-4(5,6)3-8-7;;;;;;;;;;/h1-16H,17H2;2*1-14H,15H2;1-12H,13H2;2-9H,11H2;4*3-6H2,1-2H3;2-4H2,1H3;2-3H2,1H3;10*1H4.

What are the key properties of carbazole-9-carbonyloxymethyl carbazole-9-carboxylate;2,2-difluorobutyl hypofluorite;1,1-difluoro-1-(1,1,2,2,3-pentafluoropropoxy)butane;tetrakis(1-[2-[difluoro(propoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]propane);(4-isocyanobenzoyl)oxymethyl 4-cyanobenzoate;methane;bis(naphthalene-1-carbonyloxymethyl naphthalene-1-carboxylate);quinoline-6-carbonyloxymethyl quinoline-6-carboxylate?

carbazole-9-carbonyloxymethyl carbazole-9-carboxylate;2,2-difluorobutyl hypofluorite;1,1-difluoro-1-(1,1,2,2,3-pentafluoropropoxy)butane;tetrakis(1-[2-[difluoro(propoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]propane);(4-isocyanobenzoyl)oxymethyl 4-cyanobenzoate;methane;bis(naphthalene-1-carbonyloxymethyl naphthalene-1-carboxylate);quinoline-6-carbonyloxymethyl quinoline-6-carboxylate has a molecular weight of 3479.28 g/mol, XLogP of 49.55, 63 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for carbazole-9-carbonyloxymethyl carbazole-9-carboxylate;2,2-difluorobutyl hypofluorite;1,1-difluoro-1-(1,1,2,2,3-pentafluoropropoxy)butane;tetrakis(1-[2-[difluoro(propoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]propane);(4-isocyanobenzoyl)oxymethyl 4-cyanobenzoate;methane;bis(naphthalene-1-carbonyloxymethyl naphthalene-1-carboxylate);quinoline-6-carbonyloxymethyl quinoline-6-carboxylate is sourced from PubChem (CID 159154843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).