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

C40H41N3O5 — CID 71210309

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

1-(9H-carbazol-4-yloxy)-3-[[3-(9H-carbazol-4-yloxy)-2-methylpropyl]-[2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol (PubChem CID 71210309) has the molecular formula C40H41N3O5 and a molecular weight of 643.78 g/mol. Its IUPAC name is 1-(9H-carbazol-4-yloxy)-3-[[3-(9H-carbazol-4-yloxy)-2-methylpropyl]-[2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol.

Molecular Properties

• Compound Name: 1-(9H-carbazol-4-yloxy)-3-[[3-(9H-carbazol-4-yloxy)-2-methylpropyl]-[2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol
• PubChem CID: 71210309
• Molecular Formula: C40H41N3O5
• Molecular Weight: 643.78 g/mol
• Exact Mass: 643.30
• IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-[[3-(9H-carbazol-4-yloxy)-2-methylpropyl]-[2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol
• SMILES: COc1ccccc1OCCN(CC(C)COc1cccc2[nH]c3ccccc3c12)CC(O)COc1cccc2[nH]c3ccccc3c12
• InChI: InChI=1S/C40H41N3O5/c1-27(25-47-37-19-9-15-33-39(37)29-11-3-5-13-31(29)41-33)23-43(21-22-46-36-18-8-7-17-35(36)45-2)24-28(44)26-48-38-20-10-16-34-40(38)30-12-4-6-14-32(30)42-34/h3-20,27-28,41-42,44H,21-26H2,1-2H3
• InChIKey: CVNIMEQVMQRGLU-UHFFFAOYSA-N
• XLogP: 7.80
• TPSA: 91.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.78
LogP ≤ 5	7.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[[3-(9H-carbazol-4-yloxy)-2-methylpropyl]-[2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol?

The IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[[3-(9H-carbazol-4-yloxy)-2-methylpropyl]-[2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol (CID 71210309) is 1-(9H-carbazol-4-yloxy)-3-[[3-(9H-carbazol-4-yloxy)-2-methylpropyl]-[2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol.

What is the SMILES notation for 1-(9H-carbazol-4-yloxy)-3-[[3-(9H-carbazol-4-yloxy)-2-methylpropyl]-[2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol?

The canonical SMILES for 1-(9H-carbazol-4-yloxy)-3-[[3-(9H-carbazol-4-yloxy)-2-methylpropyl]-[2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol is COc1ccccc1OCCN(CC(C)COc1cccc2[nH]c3ccccc3c12)CC(O)COc1cccc2[nH]c3ccccc3c12.

What is the InChIKey of 1-(9H-carbazol-4-yloxy)-3-[[3-(9H-carbazol-4-yloxy)-2-methylpropyl]-[2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol?

The InChIKey is CVNIMEQVMQRGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H41N3O5/c1-27(25-47-37-19-9-15-33-39(37)29-11-3-5-13-31(29)41-33)23-43(21-22-46-36-18-8-7-17-35(36)45-2)24-28(44)26-48-38-20-10-16-34-40(38)30-12-4-6-14-32(30)42-34/h3-20,27-28,41-42,44H,21-26H2,1-2H3.

What are the key properties of 1-(9H-carbazol-4-yloxy)-3-[[3-(9H-carbazol-4-yloxy)-2-methylpropyl]-[2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol?

1-(9H-carbazol-4-yloxy)-3-[[3-(9H-carbazol-4-yloxy)-2-methylpropyl]-[2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol has a molecular weight of 643.78 g/mol, XLogP of 7.80, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(9H-carbazol-4-yloxy)-3-[[3-(9H-carbazol-4-yloxy)-2-methylpropyl]-[2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol is sourced from PubChem (CID 71210309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).