diethyl 6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2-[(2,10-difluoro-12-nitro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine;ethyl 10-acetyl-12-chloro-6-[2-(dimethylamino)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate;hydrochloride

C108H105Cl2F2N13O17 — CID 162230077

IUPACdiethyl 6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2-[(2,10-difluoro-12-nitro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine;ethyl 10-acetyl-12-chloro-6-[2-(dimethylamino)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate;hydrochloride
SMILESCCN(CC)CCOc1c2[nH]c3ccc(F)cc3c2c([N+](=O)[O-])c2c1[nH]c1ccc(F)cc12.CCOC(=O)c1ccc2[nH]c3c(OCC4CCCN4)c4[nH]c5ccc(C(=O)OCC)cc5c4cc3c2c1.CCOC(=O)c1ccc2[nH]c3c(OCCN(C)C)c4[nH]c5ccc(C(C)=O)cc5c4c(Cl)c3c2c1.CCOC(=O)c1ccc2[nH]c3c(O[C@H]4CCNC4)c4[nH]c5ccc(C(=O)OCC)cc5c4cc3c2c1.Cl
InChIInChI=1S/C29H29N3O5.C28H27N3O5.C27H26ClN3O4.C24H22F2N4O3.ClH/c1-3-35-28(33)16-7-9-23-19(12-16)21-14-22-20-13-17(29(34)36-4-2)8-10-24(20)32-26(22)27(25(21)31-23)37-15-18-6-5-11-30-18;1-3-34-27(32)15-5-7-22-18(11-15)20-13-21-19-12-16(28(33)35-4-2)6-8-23(19)31-25(21)26(24(20)30-22)36-17-9-10-29-14-17;1-5-34-27(33)16-7-9-20-18(13-16)22-23(28)21-17-12-15(14(2)32)6-8-19(17)29-24(21)26(25(22)30-20)35-11-10-31(3)4;1-3-29(4-2)9-10-33-24-21-19(15-11-13(25)5-7-17(15)27-21)23(30(31)32)20-16-12-14(26)6-8-18(16)28-22(20)24;/h7-10,12-14,18,30-32H,3-6,11,15H2,1-2H3;5-8,11-13,17,29-31H,3-4,9-10,14H2,1-2H3;6-9,12-13,29-30H,5,10-11H2,1-4H3;5-8,11-12,27-28H,3-4,9-10H2,1-2H3;1H/t;17-;;;/m.0.../s1
InChIKeyVAWFUAYUPVPNLU-JKXCFWLASA-N
MW1966.00 g/mol
LogP22.70
Rot. Bonds27

About diethyl 6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2-[(2,10-difluoro-12-nitro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine;ethyl 10-acetyl-12-chloro-6-[2-(dimethylamino)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate;hydrochloride

diethyl 6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2-[(2,10-difluoro-12-nitro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine;ethyl 10-acetyl-12-chloro-6-[2-(dimethylamino)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate;hydrochloride (PubChem CID 162230077) has the molecular formula C108H105Cl2F2N13O17 and a molecular weight of 1966.00 g/mol. Its IUPAC name is diethyl 6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2-[(2,10-difluoro-12-nitro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine;ethyl 10-acetyl-12-chloro-6-[2-(dimethylamino)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namediethyl 6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2-[(2,10-difluoro-12-nitro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine;ethyl 10-acetyl-12-chloro-6-[2-(dimethylamino)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate;hydrochloride
PubChem CID162230077
Molecular FormulaC108H105Cl2F2N13O17
Molecular Weight1966.00 g/mol
Exact Mass1963.71
IUPAC Namediethyl 6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2-[(2,10-difluoro-12-nitro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine;ethyl 10-acetyl-12-chloro-6-[2-(dimethylamino)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate;hydrochloride
SMILESCCN(CC)CCOc1c2[nH]c3ccc(F)cc3c2c([N+](=O)[O-])c2c1[nH]c1ccc(F)cc12.CCOC(=O)c1ccc2[nH]c3c(OCC4CCCN4)c4[nH]c5ccc(C(=O)OCC)cc5c4cc3c2c1.CCOC(=O)c1ccc2[nH]c3c(OCCN(C)C)c4[nH]c5ccc(C(C)=O)cc5c4c(Cl)c3c2c1.CCOC(=O)c1ccc2[nH]c3c(O[C@H]4CCNC4)c4[nH]c5ccc(C(=O)OCC)cc5c4cc3c2c1.Cl
InChIInChI=1S/C29H29N3O5.C28H27N3O5.C27H26ClN3O4.C24H22F2N4O3.ClH/c1-3-35-28(33)16-7-9-23-19(12-16)21-14-22-20-13-17(29(34)36-4-2)8-10-24(20)32-26(22)27(25(21)31-23)37-15-18-6-5-11-30-18;1-3-34-27(32)15-5-7-22-18(11-15)20-13-21-19-12-16(28(33)35-4-2)6-8-23(19)31-25(21)26(24(20)30-22)36-17-9-10-29-14-17;1-5-34-27(33)16-7-9-20-18(13-16)22-23(28)21-17-12-15(14(2)32)6-8-19(17)29-24(21)26(25(22)30-20)35-11-10-31(3)4;1-3-29(4-2)9-10-33-24-21-19(15-11-13(25)5-7-17(15)27-21)23(30(31)32)20-16-12-14(26)6-8-18(16)28-22(20)24;/h7-10,12-14,18,30-32H,3-6,11,15H2,1-2H3;5-8,11-13,17,29-31H,3-4,9-10,14H2,1-2H3;6-9,12-13,29-30H,5,10-11H2,1-4H3;5-8,11-12,27-28H,3-4,9-10H2,1-2H3;1H/t;17-;;;/m.0.../s1
InChIKeyVAWFUAYUPVPNLU-JKXCFWLASA-N
XLogP22.70
TPSA385.49 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001966.00
LogP ≤ 522.70
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze diethyl 6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2-[(2,10-difluoro-12-nitro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine;ethyl 10-acetyl-12-chloro-6-[2-(dimethylamino)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate;hydrochloride with MolForge

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Related Compounds

diethyl 12-nitro-6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;diethyl 6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2,10-difluoro-6-[3-(5-methyltetrazol-2-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole;2-[(2,10-difluoro-12-nitro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine;ethyl 10-acetyl-12-chloro-6-[2-(dimethylamino)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate;hydrochloride
CID 161221564
diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
CID 123633998
2,10-dichloro-6-[[(2S)-pyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole
CID 59238891
ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate
CID 165353814
ethane;ethyl 3-nitro-4-(pyrrolidin-3-ylamino)benzoate
CID 155709066
1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride
CID 68998757
diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
CID 22025388
ethyl 3-nitro-4-(pyrrolidin-3-ylamino)benzoate
CID 155709067
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119695325
2-(diethylamino)ethyl 4-amino-2-chlorobenzoate;ethyl 4-aminobenzoate
CID 67420819
propyl 8-[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate;hydrochloride
CID 161136640
[8-[cyclopropyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] ethyl carbonate
CID 68562984

Frequently Asked Questions

What is the IUPAC name of diethyl 6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2-[(2,10-difluoro-12-nitro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine;ethyl 10-acetyl-12-chloro-6-[2-(dimethylamino)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate;hydrochloride?
The IUPAC name of diethyl 6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2-[(2,10-difluoro-12-nitro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine;ethyl 10-acetyl-12-chloro-6-[2-(dimethylamino)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate;hydrochloride (CID 162230077) is diethyl 6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2-[(2,10-difluoro-12-nitro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine;ethyl 10-acetyl-12-chloro-6-[2-(dimethylamino)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate;hydrochloride.
What is the SMILES notation for diethyl 6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2-[(2,10-difluoro-12-nitro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine;ethyl 10-acetyl-12-chloro-6-[2-(dimethylamino)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate;hydrochloride?
The canonical SMILES for diethyl 6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2-[(2,10-difluoro-12-nitro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine;ethyl 10-acetyl-12-chloro-6-[2-(dimethylamino)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate;hydrochloride is CCN(CC)CCOc1c2[nH]c3ccc(F)cc3c2c([N+](=O)[O-])c2c1[nH]c1ccc(F)cc12.CCOC(=O)c1ccc2[nH]c3c(OCC4CCCN4)c4[nH]c5ccc(C(=O)OCC)cc5c4cc3c2c1.CCOC(=O)c1ccc2[nH]c3c(OCCN(C)C)c4[nH]c5ccc(C(C)=O)cc5c4c(Cl)c3c2c1.CCOC(=O)c1ccc2[nH]c3c(O[C@H]4CCNC4)c4[nH]c5ccc(C(=O)OCC)cc5c4cc3c2c1.Cl.
What is the InChIKey of diethyl 6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2-[(2,10-difluoro-12-nitro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine;ethyl 10-acetyl-12-chloro-6-[2-(dimethylamino)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate;hydrochloride?
The InChIKey is VAWFUAYUPVPNLU-JKXCFWLASA-N. The full InChI is InChI=1S/C29H29N3O5.C28H27N3O5.C27H26ClN3O4.C24H22F2N4O3.ClH/c1-3-35-28(33)16-7-9-23-19(12-16)21-14-22-20-13-17(29(34)36-4-2)8-10-24(20)32-26(22)27(25(21)31-23)37-15-18-6-5-11-30-18;1-3-34-27(32)15-5-7-22-18(11-15)20-13-21-19-12-16(28(33)35-4-2)6-8-23(19)31-25(21)26(24(20)30-22)36-17-9-10-29-14-17;1-5-34-27(33)16-7-9-20-18(13-16)22-23(28)21-17-12-15(14(2)32)6-8-19(17)29-24(21)26(25(22)30-20)35-11-10-31(3)4;1-3-29(4-2)9-10-33-24-21-19(15-11-13(25)5-7-17(15)27-21)23(30(31)32)20-16-12-14(26)6-8-18(16)28-22(20)24;/h7-10,12-14,18,30-32H,3-6,11,15H2,1-2H3;5-8,11-13,17,29-31H,3-4,9-10,14H2,1-2H3;6-9,12-13,29-30H,5,10-11H2,1-4H3;5-8,11-12,27-28H,3-4,9-10H2,1-2H3;1H/t;17-;;;/m.0.../s1.
What are the key properties of diethyl 6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2-[(2,10-difluoro-12-nitro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine;ethyl 10-acetyl-12-chloro-6-[2-(dimethylamino)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate;hydrochloride?
diethyl 6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2-[(2,10-difluoro-12-nitro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine;ethyl 10-acetyl-12-chloro-6-[2-(dimethylamino)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate;hydrochloride has a molecular weight of 1966.00 g/mol, XLogP of 22.70, 27 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2-[(2,10-difluoro-12-nitro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine;ethyl 10-acetyl-12-chloro-6-[2-(dimethylamino)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole-2-carboxylate;hydrochloride is sourced from PubChem (CID 162230077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).