19-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene

C32H17NOS — CID 140956583

About 19-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene

19-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene (PubChem CID 140956583) has the molecular formula C32H17NOS and a molecular weight of 463.56 g/mol. Its IUPAC name is 19-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene.

Molecular Properties

• Compound Name: 19-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene
• PubChem CID: 140956583
• Molecular Formula: C32H17NOS
• Molecular Weight: 463.56 g/mol
• Exact Mass: 463.10
• IUPAC Name: 19-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene
• SMILES: c1ccc2c(c1)cn1c2c2cc3sc4ccccc4c3cc2c2ccc3oc4ccccc4c3c21
• InChI: InChI=1S/C32H17NOS/c1-2-8-19-18(7-1)17-33-31(19)25-16-29-24(20-9-4-6-12-28(20)35-29)15-23(25)21-13-14-27-30(32(21)33)22-10-3-5-11-26(22)34-27/h1-17H
• InChIKey: QMHJTWBEKWYLOW-UHFFFAOYSA-N
• XLogP: 9.67
• TPSA: 17.55 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.56
LogP ≤ 5	9.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 19-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene?

The IUPAC name of 19-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene (CID 140956583) is 19-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene.

What is the SMILES notation for 19-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene?

The canonical SMILES for 19-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene is c1ccc2c(c1)cn1c2c2cc3sc4ccccc4c3cc2c2ccc3oc4ccccc4c3c21.

What is the InChIKey of 19-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene?

The InChIKey is QMHJTWBEKWYLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H17NOS/c1-2-8-19-18(7-1)17-33-31(19)25-16-29-24(20-9-4-6-12-28(20)35-29)15-23(25)21-13-14-27-30(32(21)33)22-10-3-5-11-26(22)34-27/h1-17H.

What are the key properties of 19-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene?

19-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene has a molecular weight of 463.56 g/mol, XLogP of 9.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 19-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene is sourced from PubChem (CID 140956583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).