N'-[3-[(2,10-difluoro-5,7-dihydroindeno[2,1-b]carbazol-6-yl)oxy]propyl]benzenecarboximidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylbutanimidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N'-propan-2-ylbutanimidamide;2,10-difluoro-6-methoxy-5,7-dimethylindolo[2,3-b]carbazole;2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;ethyl 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-12-carboxylate

C141H112F15N17O8 — CID 159885468

IUPACN'-[3-[(2,10-difluoro-5,7-dihydroindeno[2,1-b]carbazol-6-yl)oxy]propyl]benzenecarboximidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylbutanimidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N'-propan-2-ylbutanimidamide;2,10-difluoro-6-methoxy-5,7-dimethylindolo[2,3-b]carbazole;2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;ethyl 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-12-carboxylate
SMILESCC(C)/N=C(\N)CCCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12.CCOC(=O)c1c2c([nH]c3ccc(F)cc32)c(OC)c2[nH]c3ccc(F)cc3c12.COc1c2[nH]c3ccc(F)cc3c2c(C(F)(F)F)c2c1[nH]c1ccc(F)cc12.COc1c2c(cc3c4cc(F)ccc4n(C)c13)c1cc(F)ccc1n2C.N/C(=N\CCCOc1c2c(cc3c1[nH]c1ccc(F)cc13)-c1cc(F)ccc1C2)c1ccccc1.[H]/N=C(/CCCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12)N(C)C
InChIInChI=1S/C29H23F2N3O.C25H24F2N4O.C24H22F2N4O.C22H16F2N2O3.C21H16F2N2O.C20H11F5N2O/c30-19-8-7-18-13-25-22(21(18)14-19)16-24-23-15-20(31)9-10-26(23)34-27(24)28(25)35-12-4-11-33-29(32)17-5-2-1-3-6-17;1-13(2)29-22(28)4-3-9-32-25-23-18(16-10-14(26)5-7-20(16)30-23)12-19-17-11-15(27)6-8-21(17)31-24(19)25;1-30(2)21(27)4-3-9-31-24-22-17(15-10-13(25)5-7-19(15)28-22)12-18-16-11-14(26)6-8-20(16)29-23(18)24;1-3-29-22(27)18-16-12-8-10(23)4-6-14(12)25-19(16)21(28-2)20-17(18)13-9-11(24)5-7-15(13)26-20;1-24-17-6-4-11(22)8-13(17)15-10-16-14-9-12(23)5-7-18(14)25(2)20(16)21(26-3)19(15)24;1-28-19-17-14(10-6-8(21)2-4-12(10)26-17)16(20(23,24)25)15-11-7-9(22)3-5-13(11)27-18(15)19/h1-3,5-10,14-16,34H,4,11-13H2,(H2,32,33);5-8,10-13,30-31H,3-4,9H2,1-2H3,(H2,28,29);5-8,10-12,27-29H,3-4,9H2,1-2H3;4-9,25-26H,3H2,1-2H3;4-10H,1-3H3;2-7,26-27H,1H3/b;;27-21-;;;
InChIKeyNUBSATAKRHZXHS-FWEOCFMHSA-N
MW2457.53 g/mol
LogP35.38
Rot. Bonds22

About N'-[3-[(2,10-difluoro-5,7-dihydroindeno[2,1-b]carbazol-6-yl)oxy]propyl]benzenecarboximidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylbutanimidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N'-propan-2-ylbutanimidamide;2,10-difluoro-6-methoxy-5,7-dimethylindolo[2,3-b]carbazole;2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;ethyl 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-12-carboxylate

N'-[3-[(2,10-difluoro-5,7-dihydroindeno[2,1-b]carbazol-6-yl)oxy]propyl]benzenecarboximidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylbutanimidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N'-propan-2-ylbutanimidamide;2,10-difluoro-6-methoxy-5,7-dimethylindolo[2,3-b]carbazole;2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;ethyl 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-12-carboxylate (PubChem CID 159885468) has the molecular formula C141H112F15N17O8 and a molecular weight of 2457.53 g/mol. Its IUPAC name is N'-[3-[(2,10-difluoro-5,7-dihydroindeno[2,1-b]carbazol-6-yl)oxy]propyl]benzenecarboximidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylbutanimidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N'-propan-2-ylbutanimidamide;2,10-difluoro-6-methoxy-5,7-dimethylindolo[2,3-b]carbazole;2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;ethyl 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-12-carboxylate.

Molecular Properties

Compound NameN'-[3-[(2,10-difluoro-5,7-dihydroindeno[2,1-b]carbazol-6-yl)oxy]propyl]benzenecarboximidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylbutanimidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N'-propan-2-ylbutanimidamide;2,10-difluoro-6-methoxy-5,7-dimethylindolo[2,3-b]carbazole;2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;ethyl 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-12-carboxylate
PubChem CID159885468
Molecular FormulaC141H112F15N17O8
Molecular Weight2457.53 g/mol
Exact Mass2455.86
IUPAC NameN'-[3-[(2,10-difluoro-5,7-dihydroindeno[2,1-b]carbazol-6-yl)oxy]propyl]benzenecarboximidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylbutanimidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N'-propan-2-ylbutanimidamide;2,10-difluoro-6-methoxy-5,7-dimethylindolo[2,3-b]carbazole;2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;ethyl 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-12-carboxylate
SMILESCC(C)/N=C(\N)CCCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12.CCOC(=O)c1c2c([nH]c3ccc(F)cc32)c(OC)c2[nH]c3ccc(F)cc3c12.COc1c2[nH]c3ccc(F)cc3c2c(C(F)(F)F)c2c1[nH]c1ccc(F)cc12.COc1c2c(cc3c4cc(F)ccc4n(C)c13)c1cc(F)ccc1n2C.N/C(=N\CCCOc1c2c(cc3c1[nH]c1ccc(F)cc13)-c1cc(F)ccc1C2)c1ccccc1.[H]/N=C(/CCCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12)N(C)C
InChIInChI=1S/C29H23F2N3O.C25H24F2N4O.C24H22F2N4O.C22H16F2N2O3.C21H16F2N2O.C20H11F5N2O/c30-19-8-7-18-13-25-22(21(18)14-19)16-24-23-15-20(31)9-10-26(23)34-27(24)28(25)35-12-4-11-33-29(32)17-5-2-1-3-6-17;1-13(2)29-22(28)4-3-9-32-25-23-18(16-10-14(26)5-7-20(16)30-23)12-19-17-11-15(27)6-8-21(17)31-24(19)25;1-30(2)21(27)4-3-9-31-24-22-17(15-10-13(25)5-7-19(15)28-22)12-18-16-11-14(26)6-8-20(16)29-23(18)24;1-3-29-22(27)18-16-12-8-10(23)4-6-14(12)25-19(16)21(28-2)20-17(18)13-9-11(24)5-7-15(13)26-20;1-24-17-6-4-11(22)8-13(17)15-10-16-14-9-12(23)5-7-18(14)25(2)20(16)21(26-3)19(15)24;1-28-19-17-14(10-6-8(21)2-4-12(10)26-17)16(20(23,24)25)15-11-7-9(22)3-5-13(11)27-18(15)19/h1-3,5-10,14-16,34H,4,11-13H2,(H2,32,33);5-8,10-13,30-31H,3-4,9H2,1-2H3,(H2,28,29);5-8,10-12,27-29H,3-4,9H2,1-2H3;4-9,25-26H,3H2,1-2H3;4-10H,1-3H3;2-7,26-27H,1H3/b;;27-21-;;;
InChIKeyNUBSATAKRHZXHS-FWEOCFMHSA-N
XLogP35.38
TPSA337.50 Ų
H-Bond Donors12
H-Bond Acceptors13
Rotatable Bonds22
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002457.53
LogP ≤ 535.38
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[3-[(2,10-difluoro-5,7-dihydroindeno[2,1-b]carbazol-6-yl)oxy]propyl]benzenecarboximidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylbutanimidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N'-propan-2-ylbutanimidamide;2,10-difluoro-6-methoxy-5,7-dimethylindolo[2,3-b]carbazole;2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;ethyl 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-12-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[(2,10-difluoro-5,7-dihydroindeno[2,1-b]carbazol-6-yl)oxy]propyl]benzenecarboximidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylbutanimidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N'-propan-2-ylbutanimidamide;2,10-difluoro-6-methoxy-5,7-dimethylindolo[2,3-b]carbazole;2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;ethyl 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-12-carboxylate?
The IUPAC name of N'-[3-[(2,10-difluoro-5,7-dihydroindeno[2,1-b]carbazol-6-yl)oxy]propyl]benzenecarboximidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylbutanimidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N'-propan-2-ylbutanimidamide;2,10-difluoro-6-methoxy-5,7-dimethylindolo[2,3-b]carbazole;2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;ethyl 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-12-carboxylate (CID 159885468) is N'-[3-[(2,10-difluoro-5,7-dihydroindeno[2,1-b]carbazol-6-yl)oxy]propyl]benzenecarboximidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylbutanimidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N'-propan-2-ylbutanimidamide;2,10-difluoro-6-methoxy-5,7-dimethylindolo[2,3-b]carbazole;2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;ethyl 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-12-carboxylate.
What is the SMILES notation for N'-[3-[(2,10-difluoro-5,7-dihydroindeno[2,1-b]carbazol-6-yl)oxy]propyl]benzenecarboximidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylbutanimidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N'-propan-2-ylbutanimidamide;2,10-difluoro-6-methoxy-5,7-dimethylindolo[2,3-b]carbazole;2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;ethyl 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-12-carboxylate?
The canonical SMILES for N'-[3-[(2,10-difluoro-5,7-dihydroindeno[2,1-b]carbazol-6-yl)oxy]propyl]benzenecarboximidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylbutanimidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N'-propan-2-ylbutanimidamide;2,10-difluoro-6-methoxy-5,7-dimethylindolo[2,3-b]carbazole;2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;ethyl 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-12-carboxylate is CC(C)/N=C(\N)CCCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12.CCOC(=O)c1c2c([nH]c3ccc(F)cc32)c(OC)c2[nH]c3ccc(F)cc3c12.COc1c2[nH]c3ccc(F)cc3c2c(C(F)(F)F)c2c1[nH]c1ccc(F)cc12.COc1c2c(cc3c4cc(F)ccc4n(C)c13)c1cc(F)ccc1n2C.N/C(=N\CCCOc1c2c(cc3c1[nH]c1ccc(F)cc13)-c1cc(F)ccc1C2)c1ccccc1.[H]/N=C(/CCCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12)N(C)C.
What is the InChIKey of N'-[3-[(2,10-difluoro-5,7-dihydroindeno[2,1-b]carbazol-6-yl)oxy]propyl]benzenecarboximidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylbutanimidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N'-propan-2-ylbutanimidamide;2,10-difluoro-6-methoxy-5,7-dimethylindolo[2,3-b]carbazole;2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;ethyl 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-12-carboxylate?
The InChIKey is NUBSATAKRHZXHS-FWEOCFMHSA-N. The full InChI is InChI=1S/C29H23F2N3O.C25H24F2N4O.C24H22F2N4O.C22H16F2N2O3.C21H16F2N2O.C20H11F5N2O/c30-19-8-7-18-13-25-22(21(18)14-19)16-24-23-15-20(31)9-10-26(23)34-27(24)28(25)35-12-4-11-33-29(32)17-5-2-1-3-6-17;1-13(2)29-22(28)4-3-9-32-25-23-18(16-10-14(26)5-7-20(16)30-23)12-19-17-11-15(27)6-8-21(17)31-24(19)25;1-30(2)21(27)4-3-9-31-24-22-17(15-10-13(25)5-7-19(15)28-22)12-18-16-11-14(26)6-8-20(16)29-23(18)24;1-3-29-22(27)18-16-12-8-10(23)4-6-14(12)25-19(16)21(28-2)20-17(18)13-9-11(24)5-7-15(13)26-20;1-24-17-6-4-11(22)8-13(17)15-10-16-14-9-12(23)5-7-18(14)25(2)20(16)21(26-3)19(15)24;1-28-19-17-14(10-6-8(21)2-4-12(10)26-17)16(20(23,24)25)15-11-7-9(22)3-5-13(11)27-18(15)19/h1-3,5-10,14-16,34H,4,11-13H2,(H2,32,33);5-8,10-13,30-31H,3-4,9H2,1-2H3,(H2,28,29);5-8,10-12,27-29H,3-4,9H2,1-2H3;4-9,25-26H,3H2,1-2H3;4-10H,1-3H3;2-7,26-27H,1H3/b;;27-21-;;;.
What are the key properties of N'-[3-[(2,10-difluoro-5,7-dihydroindeno[2,1-b]carbazol-6-yl)oxy]propyl]benzenecarboximidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylbutanimidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N'-propan-2-ylbutanimidamide;2,10-difluoro-6-methoxy-5,7-dimethylindolo[2,3-b]carbazole;2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;ethyl 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-12-carboxylate?
N'-[3-[(2,10-difluoro-5,7-dihydroindeno[2,1-b]carbazol-6-yl)oxy]propyl]benzenecarboximidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylbutanimidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N'-propan-2-ylbutanimidamide;2,10-difluoro-6-methoxy-5,7-dimethylindolo[2,3-b]carbazole;2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;ethyl 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-12-carboxylate has a molecular weight of 2457.53 g/mol, XLogP of 35.38, 22 rotatable bonds, 12 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(2,10-difluoro-5,7-dihydroindeno[2,1-b]carbazol-6-yl)oxy]propyl]benzenecarboximidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylbutanimidamide;4-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N'-propan-2-ylbutanimidamide;2,10-difluoro-6-methoxy-5,7-dimethylindolo[2,3-b]carbazole;2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;ethyl 2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-12-carboxylate is sourced from PubChem (CID 159885468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).