16-(33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27(32),28,30,34-hexadecaen-30-yl)-27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene

C64H32N2O2S2 — CID 146513207

About 16-(33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27(32),28,30,34-hexadecaen-30-yl)-27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene

16-(33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27(32),28,30,34-hexadecaen-30-yl)-27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene (PubChem CID 146513207) has the molecular formula C64H32N2O2S2 and a molecular weight of 925.11 g/mol. Its IUPAC name is 16-(33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27(32),28,30,34-hexadecaen-30-yl)-27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene.

Molecular Properties

• Compound Name: 16-(33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27(32),28,30,34-hexadecaen-30-yl)-27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene
• PubChem CID: 146513207
• Molecular Formula: C64H32N2O2S2
• Molecular Weight: 925.11 g/mol
• Exact Mass: 924.19
• IUPAC Name: 16-(33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27(32),28,30,34-hexadecaen-30-yl)-27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene
• SMILES: c1ccc2c(c1)cn1c3ccc4c5ccccc5sc4c3c3cc4oc5cc(-c6c7ccccc7c7c8cc9oc%10ccccc%10c9cc8c8c9sc%10ccccc%10c9ccc8n67)ccc5c4cc3c21
• InChI: InChI=1S/C64H32N2O2S2/c1-2-12-35-34(11-1)32-65-50-25-23-42-38-14-6-9-19-56(38)69-63(42)58(50)47-30-54-45(29-48(47)61(35)65)37-22-21-33(27-53(37)68-54)60-40-16-3-4-17-41(40)62-49-31-55-44(36-13-5-8-18-52(36)67-55)28-46(49)59-51(66(60)62)26-24-43-39-15-7-10-20-57(39)70-64(43)59/h1-32H
• InChIKey: BVEOAOPEFSIANA-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 16-(33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27(32),28,30,34-hexadecaen-30-yl)-27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene?

The IUPAC name of 16-(33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27(32),28,30,34-hexadecaen-30-yl)-27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene (CID 146513207) is 16-(33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27(32),28,30,34-hexadecaen-30-yl)-27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene.

What is the SMILES notation for 16-(33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27(32),28,30,34-hexadecaen-30-yl)-27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene?

The canonical SMILES for 16-(33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27(32),28,30,34-hexadecaen-30-yl)-27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene is c1ccc2c(c1)cn1c3ccc4c5ccccc5sc4c3c3cc4oc5cc(-c6c7ccccc7c7c8cc9oc%10ccccc%10c9cc8c8c9sc%10ccccc%10c9ccc8n67)ccc5c4cc3c21.

What is the InChIKey of 16-(33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27(32),28,30,34-hexadecaen-30-yl)-27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene?

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

What are the key properties of 16-(33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27(32),28,30,34-hexadecaen-30-yl)-27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene?

16-(33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27(32),28,30,34-hexadecaen-30-yl)-27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-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 16-(33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27(32),28,30,34-hexadecaen-30-yl)-27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene is sourced from PubChem (CID 146513207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).