8-(34-oxa-10-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaen-26-yl)-34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene

C64H32N2O2S2 — CID 154992166

About 8-(34-oxa-10-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaen-26-yl)-34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene

8-(34-oxa-10-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaen-26-yl)-34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene (PubChem CID 154992166) has the molecular formula C64H32N2O2S2 and a molecular weight of 925.11 g/mol. Its IUPAC name is 8-(34-oxa-10-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaen-26-yl)-34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene.

Molecular Properties

• Compound Name: 8-(34-oxa-10-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaen-26-yl)-34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene
• PubChem CID: 154992166
• Molecular Formula: C64H32N2O2S2
• Molecular Weight: 925.11 g/mol
• Exact Mass: 924.19
• IUPAC Name: 8-(34-oxa-10-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaen-26-yl)-34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene
• SMILES: c1ccc2c(c1)cn1c3ccc4c5ccccc5oc4c3c3c(ccc4c5cc(-c6cc7c(c8oc9ccccc9c68)c6c(ccc8sc9ccccc9c86)c6c8ccccc8cn76)ccc5sc43)c21
• InChI: InChI=1S/C64H32N2O2S2/c1-4-14-37-34(11-1)31-65-47-26-24-39-38-15-5-8-18-49(38)67-62(39)58(47)57-44(61(37)65)23-22-40-46-29-33(21-27-52(46)70-64(40)57)45-30-48-59(63-54(45)41-16-6-9-19-50(41)68-63)56-43(60-36-13-3-2-12-35(36)32-66(48)60)25-28-53-55(56)42-17-7-10-20-51(42)69-53/h1-32H
• InChIKey: RJLNGALVUGJEDD-UHFFFAOYSA-N
• XLogP: 19.31
• TPSA: 35.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.11
LogP ≤ 5	19.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(34-oxa-10-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaen-26-yl)-34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene?

The IUPAC name of 8-(34-oxa-10-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaen-26-yl)-34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene (CID 154992166) is 8-(34-oxa-10-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaen-26-yl)-34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene.

What is the SMILES notation for 8-(34-oxa-10-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaen-26-yl)-34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene?

The canonical SMILES for 8-(34-oxa-10-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaen-26-yl)-34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene is c1ccc2c(c1)cn1c3ccc4c5ccccc5oc4c3c3c(ccc4c5cc(-c6cc7c(c8oc9ccccc9c68)c6c(ccc8sc9ccccc9c86)c6c8ccccc8cn76)ccc5sc43)c21.

What is the InChIKey of 8-(34-oxa-10-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaen-26-yl)-34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene?

The InChIKey is RJLNGALVUGJEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H32N2O2S2/c1-4-14-37-34(11-1)31-65-47-26-24-39-38-15-5-8-18-49(38)67-62(39)58(47)57-44(61(37)65)23-22-40-46-29-33(21-27-52(46)70-64(40)57)45-30-48-59(63-54(45)41-16-6-9-19-50(41)68-63)56-43(60-36-13-3-2-12-35(36)32-66(48)60)25-28-53-55(56)42-17-7-10-20-51(42)69-53/h1-32H.

What are the key properties of 8-(34-oxa-10-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaen-26-yl)-34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene?

8-(34-oxa-10-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaen-26-yl)-34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene has a molecular weight of 925.11 g/mol, XLogP of 19.31, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(34-oxa-10-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaen-26-yl)-34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene is sourced from PubChem (CID 154992166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).