13-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene

C32H17NOS — CID 140956377

IUPAC13-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene
SMILESc1ccc2c(c1)cn1c2c2cc3sc4ccccc4c3cc2c2ccc3c4ccccc4oc3c21
InChIInChI=1S/C32H17NOS/c1-2-8-19-18(7-1)17-33-30(19)26-16-29-25(21-10-4-6-12-28(21)35-29)15-24(26)22-13-14-23-20-9-3-5-11-27(20)34-32(23)31(22)33/h1-17H
InChIKeyLDXGSNJAEGANKR-UHFFFAOYSA-N
MW463.56 g/mol
LogP9.67
Rot. Bonds

About 13-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene

13-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene (PubChem CID 140956377) has the molecular formula C32H17NOS and a molecular weight of 463.56 g/mol. Its IUPAC name is 13-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene.

Molecular Properties

Compound Name13-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene
PubChem CID140956377
Molecular FormulaC32H17NOS
Molecular Weight463.56 g/mol
Exact Mass463.10
IUPAC Name13-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene
SMILESc1ccc2c(c1)cn1c2c2cc3sc4ccccc4c3cc2c2ccc3c4ccccc4oc3c21
InChIInChI=1S/C32H17NOS/c1-2-8-19-18(7-1)17-33-30(19)26-16-29-25(21-10-4-6-12-28(21)35-29)15-24(26)22-13-14-23-20-9-3-5-11-27(20)34-32(23)31(22)33/h1-17H
InChIKeyLDXGSNJAEGANKR-UHFFFAOYSA-N
XLogP9.67
TPSA17.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.56
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 13-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

13-oxa-27-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene;13-oxa-28-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.027,35.029,34]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27(35),29,31,33-hexadecaene;13-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene;13-oxa-34-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.027,35.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27(35),28,30,32-hexadecaene
CID 159228207
19-oxa-27-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,28,30,32,34-hexadecaene
CID 140956523
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
14,27-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.015,20.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,15,17,19,21,25,28,30,32,34-hexadecaene
CID 140956756
26-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene;27-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene;33-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,15,17,19,21,25,27,29,31,34-hexadecaene;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),5,7,9,12,15,17,19,21,25,27(35),28,30,32-hexadecaene;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-hexadecaene
CID 158666456
13,27-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene;13,28-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.027,35.029,34]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27(35),29,31,33-hexadecaene;13,33-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene;13,34-dithia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.027,35.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27(35),28,30,32-hexadecaene
CID 161396381
24-thia-2-azaoctacyclo[19.11.0.02,10.04,9.011,20.013,18.023,31.025,30]dotriaconta-1(21),3,5,7,9,11,13,15,17,19,22,25,27,29,31-pentadecaene
CID 139436175
26-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),27,29,31,34-hexadecaene;28-oxa-19-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.027,35.029,34]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27(35),29,31,33-hexadecaene;28-oxa-20-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.027,35.029,34]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,27(35),29,31,33-hexadecaene;34-oxa-19-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.027,35.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27(35),28,30,32-hexadecaene;34-oxa-20-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.027,35.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,27(35),28,30,32-hexadecaene
CID 159121783
27-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,15,17,19,21,25,28,30,32,34-hexadecaene
CID 140956658
17-oxa-12-azaheptacyclo[13.10.1.02,11.05,10.012,26.016,24.018,23]hexacosa-1(26),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene
CID 162480456
14-thia-10-azanonacyclo[22.12.0.02,10.03,8.011,23.013,21.015,20.025,30.031,36]hexatriaconta-1(24),2,4,6,8,11(23),12,15,17,19,21,25,27,29,31,33,35-heptadecaene
CID 139436572
12-phenyl-3-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-9-yl)-[1]benzofuro[2,3-a]carbazole
CID 134223760

Frequently Asked Questions

What is the IUPAC name of 13-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene?
The IUPAC name of 13-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene (CID 140956377) is 13-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene.
What is the SMILES notation for 13-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene?
The canonical SMILES for 13-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene is c1ccc2c(c1)cn1c2c2cc3sc4ccccc4c3cc2c2ccc3c4ccccc4oc3c21.
What is the InChIKey of 13-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene?
The InChIKey is LDXGSNJAEGANKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H17NOS/c1-2-8-19-18(7-1)17-33-30(19)26-16-29-25(21-10-4-6-12-28(21)35-29)15-24(26)22-13-14-23-20-9-3-5-11-27(20)34-32(23)31(22)33/h1-17H.
What are the key properties of 13-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene?
13-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27,29,31,34-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 13-oxa-33-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene is sourced from PubChem (CID 140956377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).