bis(9H-carbazol-4-ol);5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;5-ethyl-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol

C79H84N6O13 — CID 158451728

IUPACbis(9H-carbazol-4-ol);5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;5-ethyl-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol
SMILESC=C1OC(CC)CN1CCOc1ccccc1OC.C=C1OC(CO)CN1CCOc1ccccc1OC.C=C1OC(COc2cccc3c2[nH]c2ccccc23)CN1CCOc1ccccc1OC.Oc1cccc2[nH]c3ccccc3c12.Oc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C26H26N2O4.C15H21NO3.C14H19NO4.2C12H9NO/c1-18-28(14-15-30-24-12-6-5-11-23(24)29-2)16-19(32-18)17-31-25-13-7-9-21-20-8-3-4-10-22(20)27-26(21)25;1-4-13-11-16(12(2)19-13)9-10-18-15-8-6-5-7-14(15)17-3;1-11-15(9-12(10-16)19-11)7-8-18-14-6-4-3-5-13(14)17-2;2*14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h3-13,19,27H,1,14-17H2,2H3;5-8,13H,2,4,9-11H2,1,3H3;3-6,12,16H,1,7-10H2,2H3;2*1-7,13-14H
InChIKeyHEBUKBUMVOBWNM-UHFFFAOYSA-N
MW1325.57 g/mol
LogP14.91
Rot. Bonds20

About bis(9H-carbazol-4-ol);5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;5-ethyl-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol

bis(9H-carbazol-4-ol);5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;5-ethyl-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol (PubChem CID 158451728) has the molecular formula C79H84N6O13 and a molecular weight of 1325.57 g/mol. Its IUPAC name is bis(9H-carbazol-4-ol);5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;5-ethyl-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol.

Molecular Properties

Compound Namebis(9H-carbazol-4-ol);5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;5-ethyl-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol
PubChem CID158451728
Molecular FormulaC79H84N6O13
Molecular Weight1325.57 g/mol
Exact Mass1324.61
IUPAC Namebis(9H-carbazol-4-ol);5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;5-ethyl-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol
SMILESC=C1OC(CC)CN1CCOc1ccccc1OC.C=C1OC(CO)CN1CCOc1ccccc1OC.C=C1OC(COc2cccc3c2[nH]c2ccccc23)CN1CCOc1ccccc1OC.Oc1cccc2[nH]c3ccccc3c12.Oc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C26H26N2O4.C15H21NO3.C14H19NO4.2C12H9NO/c1-18-28(14-15-30-24-12-6-5-11-23(24)29-2)16-19(32-18)17-31-25-13-7-9-21-20-8-3-4-10-22(20)27-26(21)25;1-4-13-11-16(12(2)19-13)9-10-18-15-8-6-5-7-14(15)17-3;1-11-15(9-12(10-16)19-11)7-8-18-14-6-4-3-5-13(14)17-2;2*14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h3-13,19,27H,1,14-17H2,2H3;5-8,13H,2,4,9-11H2,1,3H3;3-6,12,16H,1,7-10H2,2H3;2*1-7,13-14H
InChIKeyHEBUKBUMVOBWNM-UHFFFAOYSA-N
XLogP14.91
TPSA210.08 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001325.57
LogP ≤ 514.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze bis(9H-carbazol-4-ol);5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;5-ethyl-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(9H-carbazol-4-ol);5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;5-ethyl-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol?
The IUPAC name of bis(9H-carbazol-4-ol);5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;5-ethyl-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol (CID 158451728) is bis(9H-carbazol-4-ol);5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;5-ethyl-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol.
What is the SMILES notation for bis(9H-carbazol-4-ol);5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;5-ethyl-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol?
The canonical SMILES for bis(9H-carbazol-4-ol);5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;5-ethyl-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol is C=C1OC(CC)CN1CCOc1ccccc1OC.C=C1OC(CO)CN1CCOc1ccccc1OC.C=C1OC(COc2cccc3c2[nH]c2ccccc23)CN1CCOc1ccccc1OC.Oc1cccc2[nH]c3ccccc3c12.Oc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of bis(9H-carbazol-4-ol);5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;5-ethyl-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol?
The InChIKey is HEBUKBUMVOBWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4.C15H21NO3.C14H19NO4.2C12H9NO/c1-18-28(14-15-30-24-12-6-5-11-23(24)29-2)16-19(32-18)17-31-25-13-7-9-21-20-8-3-4-10-22(20)27-26(21)25;1-4-13-11-16(12(2)19-13)9-10-18-15-8-6-5-7-14(15)17-3;1-11-15(9-12(10-16)19-11)7-8-18-14-6-4-3-5-13(14)17-2;2*14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h3-13,19,27H,1,14-17H2,2H3;5-8,13H,2,4,9-11H2,1,3H3;3-6,12,16H,1,7-10H2,2H3;2*1-7,13-14H.
What are the key properties of bis(9H-carbazol-4-ol);5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;5-ethyl-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol?
bis(9H-carbazol-4-ol);5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;5-ethyl-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol has a molecular weight of 1325.57 g/mol, XLogP of 14.91, 20 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9H-carbazol-4-ol);5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;5-ethyl-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol is sourced from PubChem (CID 158451728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).