(3R)-1-[(1R,2R)-2-[2-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol

C60H73N5O10 — CID 158771658

About (3R)-1-[(1R,2R)-2-[2-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol

(3R)-1-[(1R,2R)-2-[2-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol (PubChem CID 158771658) has the molecular formula C60H73N5O10 and a molecular weight of 1024.27 g/mol. Its IUPAC name is (3R)-1-[(1R,2R)-2-[2-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol.

Molecular Properties

• Compound Name: (3R)-1-[(1R,2R)-2-[2-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
• PubChem CID: 158771658
• Molecular Formula: C60H73N5O10
• Molecular Weight: 1024.27 g/mol
• Exact Mass: 1023.54
• IUPAC Name: (3R)-1-[(1R,2R)-2-[2-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
• SMILES: COc1cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)ccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
• InChI: InChI=1S/C36H47N3O6.C24H26N2O4/c1-42-35-21-25(16-19-43-32-11-5-4-10-31(32)39-18-15-26(40)23-39)13-14-33(35)44-20-17-37-22-27(41)24-45-34-12-6-9-30-36(34)28-7-2-3-8-29(28)38-30;1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-3,6-9,12-14,21,26-27,31-32,37-38,40-41H,4-5,10-11,15-20,22-24H2,1H3;2-12,17,25-27H,13-16H2,1H3/t26-,27?,31-,32-;/m1./s1
• InChIKey: IPYDUYPUZWCQHB-VAYJSYDLSA-N
• XLogP: 8.41
• TPSA: 184.18 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 25
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1024.27
LogP ≤ 5	8.41
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1R,2R)-2-[2-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?

The IUPAC name of (3R)-1-[(1R,2R)-2-[2-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol (CID 158771658) is (3R)-1-[(1R,2R)-2-[2-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol.

What is the SMILES notation for (3R)-1-[(1R,2R)-2-[2-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?

The canonical SMILES for (3R)-1-[(1R,2R)-2-[2-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol is COc1cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)ccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.

What is the InChIKey of (3R)-1-[(1R,2R)-2-[2-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?

The InChIKey is IPYDUYPUZWCQHB-VAYJSYDLSA-N. The full InChI is InChI=1S/C36H47N3O6.C24H26N2O4/c1-42-35-21-25(16-19-43-32-11-5-4-10-31(32)39-18-15-26(40)23-39)13-14-33(35)44-20-17-37-22-27(41)24-45-34-12-6-9-30-36(34)28-7-2-3-8-29(28)38-30;1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-3,6-9,12-14,21,26-27,31-32,37-38,40-41H,4-5,10-11,15-20,22-24H2,1H3;2-12,17,25-27H,13-16H2,1H3/t26-,27?,31-,32-;/m1./s1.

What are the key properties of (3R)-1-[(1R,2R)-2-[2-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?

(3R)-1-[(1R,2R)-2-[2-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol has a molecular weight of 1024.27 g/mol, XLogP of 8.41, 25 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[(1R,2R)-2-[2-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 158771658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).