30-oxa-7,32-dithia-23-azaoctacyclo[14.14.1.12,28.05,31.06,14.08,13.017,22.024,29]dotriaconta-1,3,5,8,10,12,14,16(31),17,19,21,24(29),25,27-tetradecaene

C28H15NOS2 — CID 164714022

IUPAC30-oxa-7,32-dithia-23-azaoctacyclo[14.14.1.12,28.05,31.06,14.08,13.017,22.024,29]dotriaconta-1,3,5,8,10,12,14,16(31),17,19,21,24(29),25,27-tetradecaene
SMILESc1ccc2c(c1)Nc1cccc3c1Oc1c(ccc4c1c-2cc1c2ccccc2sc41)S3
InChIInChI=1S/C28H15NOS2/c1-3-8-20-15(6-1)18-14-19-16-7-2-4-10-22(16)32-28(19)17-12-13-24-27(25(17)18)30-26-21(29-20)9-5-11-23(26)31-24/h1-14,29H
InChIKeySTWASFYPSALFOM-UHFFFAOYSA-N
MW445.57 g/mol
LogP9.19
Rot. Bonds

About 30-oxa-7,32-dithia-23-azaoctacyclo[14.14.1.12,28.05,31.06,14.08,13.017,22.024,29]dotriaconta-1,3,5,8,10,12,14,16(31),17,19,21,24(29),25,27-tetradecaene

30-oxa-7,32-dithia-23-azaoctacyclo[14.14.1.12,28.05,31.06,14.08,13.017,22.024,29]dotriaconta-1,3,5,8,10,12,14,16(31),17,19,21,24(29),25,27-tetradecaene (PubChem CID 164714022) has the molecular formula C28H15NOS2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 30-oxa-7,32-dithia-23-azaoctacyclo[14.14.1.12,28.05,31.06,14.08,13.017,22.024,29]dotriaconta-1,3,5,8,10,12,14,16(31),17,19,21,24(29),25,27-tetradecaene.

Molecular Properties

Compound Name30-oxa-7,32-dithia-23-azaoctacyclo[14.14.1.12,28.05,31.06,14.08,13.017,22.024,29]dotriaconta-1,3,5,8,10,12,14,16(31),17,19,21,24(29),25,27-tetradecaene
PubChem CID164714022
Molecular FormulaC28H15NOS2
Molecular Weight445.57 g/mol
Exact Mass445.06
IUPAC Name30-oxa-7,32-dithia-23-azaoctacyclo[14.14.1.12,28.05,31.06,14.08,13.017,22.024,29]dotriaconta-1,3,5,8,10,12,14,16(31),17,19,21,24(29),25,27-tetradecaene
SMILESc1ccc2c(c1)Nc1cccc3c1Oc1c(ccc4c1c-2cc1c2ccccc2sc41)S3
InChIInChI=1S/C28H15NOS2/c1-3-8-20-15(6-1)18-14-19-16-7-2-4-10-22(16)32-28(19)17-12-13-24-27(25(17)18)30-26-21(29-20)9-5-11-23(26)31-24/h1-14,29H
InChIKeySTWASFYPSALFOM-UHFFFAOYSA-N
XLogP9.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 59.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 30-oxa-7,32-dithia-23-azaoctacyclo[14.14.1.12,28.05,31.06,14.08,13.017,22.024,29]dotriaconta-1,3,5,8,10,12,14,16(31),17,19,21,24(29),25,27-tetradecaene 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

8,15-dithia-3-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene
CID 145354069
4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177299145
7-chloro-3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene
CID 166846721
N-phenyl-N-[4-[3-(15-thia-8-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-19-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 163459622
4-(7-dibenzothiophen-4-yldibenzothiophen-3-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177297928
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476738
16-oxa-2,19-dithia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene
CID 134560400
19-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-thia-8-azapentacyclo[14.7.1.02,7.09,14.020,24]tetracosa-1(23),2,4,6,9,11,13,16(24),17,19,21-undecaene
CID 164714203
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138476718
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096
3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,3-diamine
CID 169305086
spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole]
CID 122627254

Frequently Asked Questions

What is the IUPAC name of 30-oxa-7,32-dithia-23-azaoctacyclo[14.14.1.12,28.05,31.06,14.08,13.017,22.024,29]dotriaconta-1,3,5,8,10,12,14,16(31),17,19,21,24(29),25,27-tetradecaene?
The IUPAC name of 30-oxa-7,32-dithia-23-azaoctacyclo[14.14.1.12,28.05,31.06,14.08,13.017,22.024,29]dotriaconta-1,3,5,8,10,12,14,16(31),17,19,21,24(29),25,27-tetradecaene (CID 164714022) is 30-oxa-7,32-dithia-23-azaoctacyclo[14.14.1.12,28.05,31.06,14.08,13.017,22.024,29]dotriaconta-1,3,5,8,10,12,14,16(31),17,19,21,24(29),25,27-tetradecaene.
What is the SMILES notation for 30-oxa-7,32-dithia-23-azaoctacyclo[14.14.1.12,28.05,31.06,14.08,13.017,22.024,29]dotriaconta-1,3,5,8,10,12,14,16(31),17,19,21,24(29),25,27-tetradecaene?
The canonical SMILES for 30-oxa-7,32-dithia-23-azaoctacyclo[14.14.1.12,28.05,31.06,14.08,13.017,22.024,29]dotriaconta-1,3,5,8,10,12,14,16(31),17,19,21,24(29),25,27-tetradecaene is c1ccc2c(c1)Nc1cccc3c1Oc1c(ccc4c1c-2cc1c2ccccc2sc41)S3.
What is the InChIKey of 30-oxa-7,32-dithia-23-azaoctacyclo[14.14.1.12,28.05,31.06,14.08,13.017,22.024,29]dotriaconta-1,3,5,8,10,12,14,16(31),17,19,21,24(29),25,27-tetradecaene?
The InChIKey is STWASFYPSALFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H15NOS2/c1-3-8-20-15(6-1)18-14-19-16-7-2-4-10-22(16)32-28(19)17-12-13-24-27(25(17)18)30-26-21(29-20)9-5-11-23(26)31-24/h1-14,29H.
What are the key properties of 30-oxa-7,32-dithia-23-azaoctacyclo[14.14.1.12,28.05,31.06,14.08,13.017,22.024,29]dotriaconta-1,3,5,8,10,12,14,16(31),17,19,21,24(29),25,27-tetradecaene?
30-oxa-7,32-dithia-23-azaoctacyclo[14.14.1.12,28.05,31.06,14.08,13.017,22.024,29]dotriaconta-1,3,5,8,10,12,14,16(31),17,19,21,24(29),25,27-tetradecaene has a molecular weight of 445.57 g/mol, XLogP of 9.19, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 30-oxa-7,32-dithia-23-azaoctacyclo[14.14.1.12,28.05,31.06,14.08,13.017,22.024,29]dotriaconta-1,3,5,8,10,12,14,16(31),17,19,21,24(29),25,27-tetradecaene is sourced from PubChem (CID 164714022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).