1-[bis(2-methoxyethyl)amino]-3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-[2-methoxyethyl(methyl)amino]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol

C104H129Br4N9O11 — CID 159906058

IUPAC1-[bis(2-methoxyethyl)amino]-3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-[2-methoxyethyl(methyl)amino]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESCN1CCN(CC(O)COc2ccc(C3CCCc4c3[nH]c3ccc(Br)cc43)cc2)CC1.COCCN(C)CC(O)COc1ccc(C2CCCc3c2[nH]c2ccc(Br)cc32)cc1.COCCN(CCOC)CC(O)COc1ccc(C2CCCc3c2[nH]c2ccc(Br)cc32)cc1.OC(COc1ccc(C2CCCc3c2[nH]c2ccc(Br)cc32)cc1)CN1CCCCC1
InChIInChI=1S/C27H35BrN2O4.C26H32BrN3O2.C26H31BrN2O2.C25H31BrN2O3/c1-32-14-12-30(13-15-33-2)17-21(31)18-34-22-9-6-19(7-10-22)23-4-3-5-24-25-16-20(28)8-11-26(25)29-27(23)24;1-29-11-13-30(14-12-29)16-20(31)17-32-21-8-5-18(6-9-21)22-3-2-4-23-24-15-19(27)7-10-25(24)28-26(22)23;27-19-9-12-25-24(15-19)23-6-4-5-22(26(23)28-25)18-7-10-21(11-8-18)31-17-20(30)16-29-13-2-1-3-14-29;1-28(12-13-30-2)15-19(29)16-31-20-9-6-17(7-10-20)21-4-3-5-22-23-14-18(26)8-11-24(23)27-25(21)22/h6-11,16,21,23,29,31H,3-5,12-15,17-18H2,1-2H3;5-10,15,20,22,28,31H,2-4,11-14,16-17H2,1H3;7-12,15,20,22,28,30H,1-6,13-14,16-17H2;6-11,14,19,21,27,29H,3-5,12-13,15-16H2,1-2H3
InChIKeyNWOWEUOMOOZOMQ-UHFFFAOYSA-N
MW2000.84 g/mol
LogP19.46
Rot. Bonds33

About 1-[bis(2-methoxyethyl)amino]-3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-[2-methoxyethyl(methyl)amino]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol

1-[bis(2-methoxyethyl)amino]-3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-[2-methoxyethyl(methyl)amino]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol (PubChem CID 159906058) has the molecular formula C104H129Br4N9O11 and a molecular weight of 2000.84 g/mol. Its IUPAC name is 1-[bis(2-methoxyethyl)amino]-3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-[2-methoxyethyl(methyl)amino]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[bis(2-methoxyethyl)amino]-3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-[2-methoxyethyl(methyl)amino]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol
PubChem CID159906058
Molecular FormulaC104H129Br4N9O11
Molecular Weight2000.84 g/mol
Exact Mass1995.65
IUPAC Name1-[bis(2-methoxyethyl)amino]-3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-[2-methoxyethyl(methyl)amino]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESCN1CCN(CC(O)COc2ccc(C3CCCc4c3[nH]c3ccc(Br)cc43)cc2)CC1.COCCN(C)CC(O)COc1ccc(C2CCCc3c2[nH]c2ccc(Br)cc32)cc1.COCCN(CCOC)CC(O)COc1ccc(C2CCCc3c2[nH]c2ccc(Br)cc32)cc1.OC(COc1ccc(C2CCCc3c2[nH]c2ccc(Br)cc32)cc1)CN1CCCCC1
InChIInChI=1S/C27H35BrN2O4.C26H32BrN3O2.C26H31BrN2O2.C25H31BrN2O3/c1-32-14-12-30(13-15-33-2)17-21(31)18-34-22-9-6-19(7-10-22)23-4-3-5-24-25-16-20(28)8-11-26(25)29-27(23)24;1-29-11-13-30(14-12-29)16-20(31)17-32-21-8-5-18(6-9-21)22-3-2-4-23-24-15-19(27)7-10-25(24)28-26(22)23;27-19-9-12-25-24(15-19)23-6-4-5-22(26(23)28-25)18-7-10-21(11-8-18)31-17-20(30)16-29-13-2-1-3-14-29;1-28(12-13-30-2)15-19(29)16-31-20-9-6-17(7-10-20)21-4-3-5-22-23-14-18(26)8-11-24(23)27-25(21)22/h6-11,16,21,23,29,31H,3-5,12-15,17-18H2,1-2H3;5-10,15,20,22,28,31H,2-4,11-14,16-17H2,1H3;7-12,15,20,22,28,30H,1-6,13-14,16-17H2;6-11,14,19,21,27,29H,3-5,12-13,15-16H2,1-2H3
InChIKeyNWOWEUOMOOZOMQ-UHFFFAOYSA-N
XLogP19.46
TPSA224.89 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds33
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002000.84
LogP ≤ 519.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 1-[bis(2-methoxyethyl)amino]-3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-[2-methoxyethyl(methyl)amino]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol with MolForge

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Related Compounds

2-[2-Bromo-4-[11,20,29-tris[3-bromo-4-(2-hydroxyethoxy)phenyl]-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaen-2-yl]phenoxy]ethanol
CID 177644486
1,4-Bis(4-(bis(5-bromo-1h-indol-3-yl)methyl)phenoxy)butane
CID 145864658
1,5-Bis(4-(bis(5-bromo-1h-indol-3-yl)methyl)phenoxy)pentane
CID 145864662
6-bromo-1-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-2,3,4,9-tetrahydro-1H-carbazole
CID 11540283
1-[4-[3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 11540985
4-[3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propyl]morpholine
CID 11554565
1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 11583951
1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 11598501
1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 11712805
1-[bis(2-methoxyethyl)amino]-3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propan-2-ol
CID 11720702
3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine;2,10-dibromo-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole
CID 88963716
1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 117847816

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methoxyethyl)amino]-3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-[2-methoxyethyl(methyl)amino]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[bis(2-methoxyethyl)amino]-3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-[2-methoxyethyl(methyl)amino]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol (CID 159906058) is 1-[bis(2-methoxyethyl)amino]-3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-[2-methoxyethyl(methyl)amino]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[bis(2-methoxyethyl)amino]-3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-[2-methoxyethyl(methyl)amino]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[bis(2-methoxyethyl)amino]-3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-[2-methoxyethyl(methyl)amino]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol is CN1CCN(CC(O)COc2ccc(C3CCCc4c3[nH]c3ccc(Br)cc43)cc2)CC1.COCCN(C)CC(O)COc1ccc(C2CCCc3c2[nH]c2ccc(Br)cc32)cc1.COCCN(CCOC)CC(O)COc1ccc(C2CCCc3c2[nH]c2ccc(Br)cc32)cc1.OC(COc1ccc(C2CCCc3c2[nH]c2ccc(Br)cc32)cc1)CN1CCCCC1.
What is the InChIKey of 1-[bis(2-methoxyethyl)amino]-3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-[2-methoxyethyl(methyl)amino]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is NWOWEUOMOOZOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35BrN2O4.C26H32BrN3O2.C26H31BrN2O2.C25H31BrN2O3/c1-32-14-12-30(13-15-33-2)17-21(31)18-34-22-9-6-19(7-10-22)23-4-3-5-24-25-16-20(28)8-11-26(25)29-27(23)24;1-29-11-13-30(14-12-29)16-20(31)17-32-21-8-5-18(6-9-21)22-3-2-4-23-24-15-19(27)7-10-25(24)28-26(22)23;27-19-9-12-25-24(15-19)23-6-4-5-22(26(23)28-25)18-7-10-21(11-8-18)31-17-20(30)16-29-13-2-1-3-14-29;1-28(12-13-30-2)15-19(29)16-31-20-9-6-17(7-10-20)21-4-3-5-22-23-14-18(26)8-11-24(23)27-25(21)22/h6-11,16,21,23,29,31H,3-5,12-15,17-18H2,1-2H3;5-10,15,20,22,28,31H,2-4,11-14,16-17H2,1H3;7-12,15,20,22,28,30H,1-6,13-14,16-17H2;6-11,14,19,21,27,29H,3-5,12-13,15-16H2,1-2H3.
What are the key properties of 1-[bis(2-methoxyethyl)amino]-3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-[2-methoxyethyl(methyl)amino]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol?
1-[bis(2-methoxyethyl)amino]-3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-[2-methoxyethyl(methyl)amino]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 2000.84 g/mol, XLogP of 19.46, 33 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methoxyethyl)amino]-3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-[2-methoxyethyl(methyl)amino]propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 159906058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).