carbon dioxide;2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carboxamide;(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)methylurea;2-[[2,10-difluoro-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylethanamine;ethyl 6-[2-(diethylamino)ethoxy]-10-ethyl-5,7-dihydroindolo[2,3-b]carbazole-2-carboperoxoate;methyl 6-[2-(diethylamino)ethoxy]-10-(formyloxymethyl)-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate

C120H105F9N16O14 — CID 159124298

IUPACcarbon dioxide;2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carboxamide;(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)methylurea;2-[[2,10-difluoro-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylethanamine;ethyl 6-[2-(diethylamino)ethoxy]-10-ethyl-5,7-dihydroindolo[2,3-b]carbazole-2-carboperoxoate;methyl 6-[2-(diethylamino)ethoxy]-10-(formyloxymethyl)-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate
SMILESCCN(CC)CCOc1c2[nH]c3ccc(COC=O)cc3c2cc2c1[nH]c1ccc(C(=O)OC)cc12.CCOOC(=O)c1ccc2[nH]c3c(OCCN(CC)CC)c4[nH]c5ccc(CC)cc5c4cc3c2c1.CN(C)CCOc1c2[nH]c3ccc(F)cc3c2c(C(F)(F)F)c2c1[nH]c1ccc(F)cc12.NC(=O)NCc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12.NC(=O)c1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12.O=C=O
InChIInChI=1S/C29H33N3O4.C28H29N3O5.C23H18F5N3O.C20H14F2N4O.C19H11F2N3O.CO2/c1-5-18-9-11-24-20(15-18)22-17-23-21-16-19(29(33)36-35-8-4)10-12-25(21)31-27(23)28(26(22)30-24)34-14-13-32(6-2)7-3;1-4-31(5-2)10-11-36-27-25-21(19-12-17(15-35-16-32)6-8-23(19)29-25)14-22-20-13-18(28(33)34-3)7-9-24(20)30-26(22)27;1-31(2)7-8-32-22-20-17(13-9-11(24)3-5-15(13)29-20)19(23(26,27)28)18-14-10-12(25)4-6-16(14)30-21(18)22;21-9-1-3-16-11(5-9)13-7-14-12-6-10(22)2-4-17(12)26-19(14)15(18(13)25-16)8-24-20(23)27;20-8-1-3-14-10(5-8)12-7-13-11-6-9(21)2-4-15(11)24-18(13)16(19(22)25)17(12)23-14;2-1-3/h9-12,15-17,30-31H,5-8,13-14H2,1-4H3;6-9,12-14,16,29-30H,4-5,10-11,15H2,1-3H3;3-6,9-10,29-30H,7-8H2,1-2H3;1-7,25-26H,8H2,(H3,23,24,27);1-7,23-24H,(H2,22,25);
InChIKeyKGBZLCLVLZYTEP-UHFFFAOYSA-N
MW2166.24 g/mol
LogP25.83
Rot. Bonds27

About carbon dioxide;2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carboxamide;(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)methylurea;2-[[2,10-difluoro-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylethanamine;ethyl 6-[2-(diethylamino)ethoxy]-10-ethyl-5,7-dihydroindolo[2,3-b]carbazole-2-carboperoxoate;methyl 6-[2-(diethylamino)ethoxy]-10-(formyloxymethyl)-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate

carbon dioxide;2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carboxamide;(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)methylurea;2-[[2,10-difluoro-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylethanamine;ethyl 6-[2-(diethylamino)ethoxy]-10-ethyl-5,7-dihydroindolo[2,3-b]carbazole-2-carboperoxoate;methyl 6-[2-(diethylamino)ethoxy]-10-(formyloxymethyl)-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate (PubChem CID 159124298) has the molecular formula C120H105F9N16O14 and a molecular weight of 2166.24 g/mol. Its IUPAC name is carbon dioxide;2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carboxamide;(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)methylurea;2-[[2,10-difluoro-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylethanamine;ethyl 6-[2-(diethylamino)ethoxy]-10-ethyl-5,7-dihydroindolo[2,3-b]carbazole-2-carboperoxoate;methyl 6-[2-(diethylamino)ethoxy]-10-(formyloxymethyl)-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate.

Molecular Properties

Compound Namecarbon dioxide;2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carboxamide;(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)methylurea;2-[[2,10-difluoro-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylethanamine;ethyl 6-[2-(diethylamino)ethoxy]-10-ethyl-5,7-dihydroindolo[2,3-b]carbazole-2-carboperoxoate;methyl 6-[2-(diethylamino)ethoxy]-10-(formyloxymethyl)-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate
PubChem CID159124298
Molecular FormulaC120H105F9N16O14
Molecular Weight2166.24 g/mol
Exact Mass2164.79
IUPAC Namecarbon dioxide;2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carboxamide;(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)methylurea;2-[[2,10-difluoro-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylethanamine;ethyl 6-[2-(diethylamino)ethoxy]-10-ethyl-5,7-dihydroindolo[2,3-b]carbazole-2-carboperoxoate;methyl 6-[2-(diethylamino)ethoxy]-10-(formyloxymethyl)-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate
SMILESCCN(CC)CCOc1c2[nH]c3ccc(COC=O)cc3c2cc2c1[nH]c1ccc(C(=O)OC)cc12.CCOOC(=O)c1ccc2[nH]c3c(OCCN(CC)CC)c4[nH]c5ccc(CC)cc5c4cc3c2c1.CN(C)CCOc1c2[nH]c3ccc(F)cc3c2c(C(F)(F)F)c2c1[nH]c1ccc(F)cc12.NC(=O)NCc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12.NC(=O)c1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12.O=C=O
InChIInChI=1S/C29H33N3O4.C28H29N3O5.C23H18F5N3O.C20H14F2N4O.C19H11F2N3O.CO2/c1-5-18-9-11-24-20(15-18)22-17-23-21-16-19(29(33)36-35-8-4)10-12-25(21)31-27(23)28(26(22)30-24)34-14-13-32(6-2)7-3;1-4-31(5-2)10-11-36-27-25-21(19-12-17(15-35-16-32)6-8-23(19)29-25)14-22-20-13-18(28(33)34-3)7-9-24(20)30-26(22)27;1-31(2)7-8-32-22-20-17(13-9-11(24)3-5-15(13)29-20)19(23(26,27)28)18-14-10-12(25)4-6-16(14)30-21(18)22;21-9-1-3-16-11(5-9)13-7-14-12-6-10(22)2-4-17(12)26-19(14)15(18(13)25-16)8-24-20(23)27;20-8-1-3-14-10(5-8)12-7-13-11-6-9(21)2-4-15(11)24-18(13)16(19(22)25)17(12)23-14;2-1-3/h9-12,15-17,30-31H,5-8,13-14H2,1-4H3;6-9,12-14,16,29-30H,4-5,10-11,15H2,1-3H3;3-6,9-10,29-30H,7-8H2,1-2H3;1-7,25-26H,8H2,(H3,23,24,27);1-7,23-24H,(H2,22,25);
InChIKeyKGBZLCLVLZYTEP-UHFFFAOYSA-N
XLogP25.83
TPSA415.79 Ų
H-Bond Donors13
H-Bond Acceptors17
Rotatable Bonds27
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002166.24
LogP ≤ 525.83
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze carbon dioxide;2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carboxamide;(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)methylurea;2-[[2,10-difluoro-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylethanamine;ethyl 6-[2-(diethylamino)ethoxy]-10-ethyl-5,7-dihydroindolo[2,3-b]carbazole-2-carboperoxoate;methyl 6-[2-(diethylamino)ethoxy]-10-(formyloxymethyl)-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carboxamide;(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)methylurea;2-[[2,10-difluoro-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylethanamine;ethyl 6-[2-(diethylamino)ethoxy]-10-ethyl-5,7-dihydroindolo[2,3-b]carbazole-2-carboperoxoate;methyl 6-[2-(diethylamino)ethoxy]-10-(formyloxymethyl)-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate?
The IUPAC name of carbon dioxide;2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carboxamide;(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)methylurea;2-[[2,10-difluoro-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylethanamine;ethyl 6-[2-(diethylamino)ethoxy]-10-ethyl-5,7-dihydroindolo[2,3-b]carbazole-2-carboperoxoate;methyl 6-[2-(diethylamino)ethoxy]-10-(formyloxymethyl)-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate (CID 159124298) is carbon dioxide;2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carboxamide;(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)methylurea;2-[[2,10-difluoro-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylethanamine;ethyl 6-[2-(diethylamino)ethoxy]-10-ethyl-5,7-dihydroindolo[2,3-b]carbazole-2-carboperoxoate;methyl 6-[2-(diethylamino)ethoxy]-10-(formyloxymethyl)-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate.
What is the SMILES notation for carbon dioxide;2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carboxamide;(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)methylurea;2-[[2,10-difluoro-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylethanamine;ethyl 6-[2-(diethylamino)ethoxy]-10-ethyl-5,7-dihydroindolo[2,3-b]carbazole-2-carboperoxoate;methyl 6-[2-(diethylamino)ethoxy]-10-(formyloxymethyl)-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate?
The canonical SMILES for carbon dioxide;2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carboxamide;(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)methylurea;2-[[2,10-difluoro-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylethanamine;ethyl 6-[2-(diethylamino)ethoxy]-10-ethyl-5,7-dihydroindolo[2,3-b]carbazole-2-carboperoxoate;methyl 6-[2-(diethylamino)ethoxy]-10-(formyloxymethyl)-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate is CCN(CC)CCOc1c2[nH]c3ccc(COC=O)cc3c2cc2c1[nH]c1ccc(C(=O)OC)cc12.CCOOC(=O)c1ccc2[nH]c3c(OCCN(CC)CC)c4[nH]c5ccc(CC)cc5c4cc3c2c1.CN(C)CCOc1c2[nH]c3ccc(F)cc3c2c(C(F)(F)F)c2c1[nH]c1ccc(F)cc12.NC(=O)NCc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12.NC(=O)c1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12.O=C=O.
What is the InChIKey of carbon dioxide;2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carboxamide;(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)methylurea;2-[[2,10-difluoro-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylethanamine;ethyl 6-[2-(diethylamino)ethoxy]-10-ethyl-5,7-dihydroindolo[2,3-b]carbazole-2-carboperoxoate;methyl 6-[2-(diethylamino)ethoxy]-10-(formyloxymethyl)-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate?
The InChIKey is KGBZLCLVLZYTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4.C28H29N3O5.C23H18F5N3O.C20H14F2N4O.C19H11F2N3O.CO2/c1-5-18-9-11-24-20(15-18)22-17-23-21-16-19(29(33)36-35-8-4)10-12-25(21)31-27(23)28(26(22)30-24)34-14-13-32(6-2)7-3;1-4-31(5-2)10-11-36-27-25-21(19-12-17(15-35-16-32)6-8-23(19)29-25)14-22-20-13-18(28(33)34-3)7-9-24(20)30-26(22)27;1-31(2)7-8-32-22-20-17(13-9-11(24)3-5-15(13)29-20)19(23(26,27)28)18-14-10-12(25)4-6-16(14)30-21(18)22;21-9-1-3-16-11(5-9)13-7-14-12-6-10(22)2-4-17(12)26-19(14)15(18(13)25-16)8-24-20(23)27;20-8-1-3-14-10(5-8)12-7-13-11-6-9(21)2-4-15(11)24-18(13)16(19(22)25)17(12)23-14;2-1-3/h9-12,15-17,30-31H,5-8,13-14H2,1-4H3;6-9,12-14,16,29-30H,4-5,10-11,15H2,1-3H3;3-6,9-10,29-30H,7-8H2,1-2H3;1-7,25-26H,8H2,(H3,23,24,27);1-7,23-24H,(H2,22,25);.
What are the key properties of carbon dioxide;2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carboxamide;(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)methylurea;2-[[2,10-difluoro-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylethanamine;ethyl 6-[2-(diethylamino)ethoxy]-10-ethyl-5,7-dihydroindolo[2,3-b]carbazole-2-carboperoxoate;methyl 6-[2-(diethylamino)ethoxy]-10-(formyloxymethyl)-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate?
carbon dioxide;2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carboxamide;(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)methylurea;2-[[2,10-difluoro-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylethanamine;ethyl 6-[2-(diethylamino)ethoxy]-10-ethyl-5,7-dihydroindolo[2,3-b]carbazole-2-carboperoxoate;methyl 6-[2-(diethylamino)ethoxy]-10-(formyloxymethyl)-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate has a molecular weight of 2166.24 g/mol, XLogP of 25.83, 27 rotatable bonds, 13 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carboxamide;(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)methylurea;2-[[2,10-difluoro-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylethanamine;ethyl 6-[2-(diethylamino)ethoxy]-10-ethyl-5,7-dihydroindolo[2,3-b]carbazole-2-carboperoxoate;methyl 6-[2-(diethylamino)ethoxy]-10-(formyloxymethyl)-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate is sourced from PubChem (CID 159124298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).