1-[bis[2-(2-methoxyphenoxy)ethyl]amino]-3-(9H-carbazol-4-yloxy)propan-2-ol

C33H36N2O6 — CID 50941721

IUPAC1-[bis[2-(2-methoxyphenoxy)ethyl]amino]-3-(9H-carbazol-4-yloxy)propan-2-ol
SMILESCOc1ccccc1OCCN(CCOc1ccccc1OC)CC(O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C33H36N2O6/c1-37-28-13-5-7-15-30(28)39-20-18-35(19-21-40-31-16-8-6-14-29(31)38-2)22-24(36)23-41-32-17-9-12-27-33(32)25-10-3-4-11-26(25)34-27/h3-17,24,34,36H,18-23H2,1-2H3
InChIKeyWJSPFNNFFRBNGQ-UHFFFAOYSA-N
MW556.66 g/mol
LogP5.54
Rot. Bonds15

About 1-[bis[2-(2-methoxyphenoxy)ethyl]amino]-3-(9H-carbazol-4-yloxy)propan-2-ol

1-[bis[2-(2-methoxyphenoxy)ethyl]amino]-3-(9H-carbazol-4-yloxy)propan-2-ol (PubChem CID 50941721) has the molecular formula C33H36N2O6 and a molecular weight of 556.66 g/mol. Its IUPAC name is 1-[bis[2-(2-methoxyphenoxy)ethyl]amino]-3-(9H-carbazol-4-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[bis[2-(2-methoxyphenoxy)ethyl]amino]-3-(9H-carbazol-4-yloxy)propan-2-ol
PubChem CID50941721
Molecular FormulaC33H36N2O6
Molecular Weight556.66 g/mol
Exact Mass556.26
IUPAC Name1-[bis[2-(2-methoxyphenoxy)ethyl]amino]-3-(9H-carbazol-4-yloxy)propan-2-ol
SMILESCOc1ccccc1OCCN(CCOc1ccccc1OC)CC(O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C33H36N2O6/c1-37-28-13-5-7-15-30(28)39-20-18-35(19-21-40-31-16-8-6-14-29(31)38-2)22-24(36)23-41-32-17-9-12-27-33(32)25-10-3-4-11-26(25)34-27/h3-17,24,34,36H,18-23H2,1-2H3
InChIKeyWJSPFNNFFRBNGQ-UHFFFAOYSA-N
XLogP5.54
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.66
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[bis[2-(2-methoxyphenoxy)ethyl]amino]-3-(9H-carbazol-4-yloxy)propan-2-ol?
The IUPAC name of 1-[bis[2-(2-methoxyphenoxy)ethyl]amino]-3-(9H-carbazol-4-yloxy)propan-2-ol (CID 50941721) is 1-[bis[2-(2-methoxyphenoxy)ethyl]amino]-3-(9H-carbazol-4-yloxy)propan-2-ol.
What is the SMILES notation for 1-[bis[2-(2-methoxyphenoxy)ethyl]amino]-3-(9H-carbazol-4-yloxy)propan-2-ol?
The canonical SMILES for 1-[bis[2-(2-methoxyphenoxy)ethyl]amino]-3-(9H-carbazol-4-yloxy)propan-2-ol is COc1ccccc1OCCN(CCOc1ccccc1OC)CC(O)COc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of 1-[bis[2-(2-methoxyphenoxy)ethyl]amino]-3-(9H-carbazol-4-yloxy)propan-2-ol?
The InChIKey is WJSPFNNFFRBNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O6/c1-37-28-13-5-7-15-30(28)39-20-18-35(19-21-40-31-16-8-6-14-29(31)38-2)22-24(36)23-41-32-17-9-12-27-33(32)25-10-3-4-11-26(25)34-27/h3-17,24,34,36H,18-23H2,1-2H3.
What are the key properties of 1-[bis[2-(2-methoxyphenoxy)ethyl]amino]-3-(9H-carbazol-4-yloxy)propan-2-ol?
1-[bis[2-(2-methoxyphenoxy)ethyl]amino]-3-(9H-carbazol-4-yloxy)propan-2-ol has a molecular weight of 556.66 g/mol, XLogP of 5.54, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[2-(2-methoxyphenoxy)ethyl]amino]-3-(9H-carbazol-4-yloxy)propan-2-ol is sourced from PubChem (CID 50941721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).