2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine;6-ethyl-5,7-dihydroindolo[2,3-b]carbazole;6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole

C62H48F5N7O — CID 162087738

IUPAC2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine;6-ethyl-5,7-dihydroindolo[2,3-b]carbazole;6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole
SMILESCCc1c2[nH]c3ccccc3c2cc2c1[nH]c1ccccc12.COc1c2[nH]c3ccc(F)cc3c2cc2c3cc(F)ccc3n(CCN(C)C)c12.FC(F)(F)c1c2[nH]c3ccccc3c2cc2c1[nH]c1ccccc12
InChIInChI=1S/C23H21F2N3O.C20H16N2.C19H11F3N2/c1-27(2)8-9-28-20-7-5-14(25)11-16(20)18-12-17-15-10-13(24)4-6-19(15)26-21(17)23(29-3)22(18)28;1-2-12-19-15(13-7-3-5-9-17(13)21-19)11-16-14-8-4-6-10-18(14)22-20(12)16;20-19(21,22)16-17-12(10-5-1-3-7-14(10)23-17)9-13-11-6-2-4-8-15(11)24-18(13)16/h4-7,10-12,26H,8-9H2,1-3H3;3-11,21-22H,2H2,1H3;1-9,23-24H
InChIKeyZDEQWSOZJSXJGC-UHFFFAOYSA-N
MW1002.10 g/mol
LogP16.77
Rot. Bonds5

About 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine;6-ethyl-5,7-dihydroindolo[2,3-b]carbazole;6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole

2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine;6-ethyl-5,7-dihydroindolo[2,3-b]carbazole;6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole (PubChem CID 162087738) has the molecular formula C62H48F5N7O and a molecular weight of 1002.10 g/mol. Its IUPAC name is 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine;6-ethyl-5,7-dihydroindolo[2,3-b]carbazole;6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine;6-ethyl-5,7-dihydroindolo[2,3-b]carbazole;6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole
PubChem CID162087738
Molecular FormulaC62H48F5N7O
Molecular Weight1002.10 g/mol
Exact Mass1001.38
IUPAC Name2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine;6-ethyl-5,7-dihydroindolo[2,3-b]carbazole;6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole
SMILESCCc1c2[nH]c3ccccc3c2cc2c1[nH]c1ccccc12.COc1c2[nH]c3ccc(F)cc3c2cc2c3cc(F)ccc3n(CCN(C)C)c12.FC(F)(F)c1c2[nH]c3ccccc3c2cc2c1[nH]c1ccccc12
InChIInChI=1S/C23H21F2N3O.C20H16N2.C19H11F3N2/c1-27(2)8-9-28-20-7-5-14(25)11-16(20)18-12-17-15-10-13(24)4-6-19(15)26-21(17)23(29-3)22(18)28;1-2-12-19-15(13-7-3-5-9-17(13)21-19)11-16-14-8-4-6-10-18(14)22-20(12)16;20-19(21,22)16-17-12(10-5-1-3-7-14(10)23-17)9-13-11-6-2-4-8-15(11)24-18(13)16/h4-7,10-12,26H,8-9H2,1-3H3;3-11,21-22H,2H2,1H3;1-9,23-24H
InChIKeyZDEQWSOZJSXJGC-UHFFFAOYSA-N
XLogP16.77
TPSA96.35 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.10
LogP ≤ 516.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Analyze 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine;6-ethyl-5,7-dihydroindolo[2,3-b]carbazole;6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole with MolForge

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Related Compounds

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2,10-Difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole
CID 45138927
3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine
CID 45138928
2-(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yloxy)-N,N-dimethylethanamine
CID 45138929
2,10-Difluoro-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole
CID 45139067
2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-diethylethanamine
CID 45139068
2-[5-[2-(dimethylamino)ethyl]-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]-N,N-dimethylethanamine
CID 45139071
4-(2,10-Difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)morpholine
CID 45139204
2,10-Difluoro-6-methoxy-12-piperazin-1-yl-5,7-dihydroindolo[2,3-b]carbazole
CID 45139205
2,10-difluoro-6-[(3R)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole
CID 46178273
2,10-difluoro-6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole
CID 59238882

Frequently Asked Questions

What is the IUPAC name of 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine;6-ethyl-5,7-dihydroindolo[2,3-b]carbazole;6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine;6-ethyl-5,7-dihydroindolo[2,3-b]carbazole;6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole (CID 162087738) is 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine;6-ethyl-5,7-dihydroindolo[2,3-b]carbazole;6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine;6-ethyl-5,7-dihydroindolo[2,3-b]carbazole;6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine;6-ethyl-5,7-dihydroindolo[2,3-b]carbazole;6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole is CCc1c2[nH]c3ccccc3c2cc2c1[nH]c1ccccc12.COc1c2[nH]c3ccc(F)cc3c2cc2c3cc(F)ccc3n(CCN(C)C)c12.FC(F)(F)c1c2[nH]c3ccccc3c2cc2c1[nH]c1ccccc12.
What is the InChIKey of 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine;6-ethyl-5,7-dihydroindolo[2,3-b]carbazole;6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole?
The InChIKey is ZDEQWSOZJSXJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O.C20H16N2.C19H11F3N2/c1-27(2)8-9-28-20-7-5-14(25)11-16(20)18-12-17-15-10-13(24)4-6-19(15)26-21(17)23(29-3)22(18)28;1-2-12-19-15(13-7-3-5-9-17(13)21-19)11-16-14-8-4-6-10-18(14)22-20(12)16;20-19(21,22)16-17-12(10-5-1-3-7-14(10)23-17)9-13-11-6-2-4-8-15(11)24-18(13)16/h4-7,10-12,26H,8-9H2,1-3H3;3-11,21-22H,2H2,1H3;1-9,23-24H.
What are the key properties of 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine;6-ethyl-5,7-dihydroindolo[2,3-b]carbazole;6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole?
2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine;6-ethyl-5,7-dihydroindolo[2,3-b]carbazole;6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole has a molecular weight of 1002.10 g/mol, XLogP of 16.77, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine;6-ethyl-5,7-dihydroindolo[2,3-b]carbazole;6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 162087738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).