30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene

C42H23NOS — CID 118361076

IUPAC30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
SMILESc1ccc2c(c1)oc1cc3c(cc12)c1ccccc1c1cc2c4ccccc4n(-c4cccc5c4sc4ccccc45)c2cc31
InChIInChI=1S/C42H23NOS/c1-2-11-25-24(10-1)30-20-34-26-12-3-6-16-36(26)43(37-17-9-15-29-28-14-5-8-19-41(28)45-42(29)37)38(34)22-32(30)33-23-40-35(21-31(25)33)27-13-4-7-18-39(27)44-40/h1-23H
InChIKeyJXSSKZLUIHVKDG-UHFFFAOYSA-N
MW589.72 g/mol
LogP12.51
Rot. Bonds1

About 30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene

30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene (PubChem CID 118361076) has the molecular formula C42H23NOS and a molecular weight of 589.72 g/mol. Its IUPAC name is 30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene.

Molecular Properties

Compound Name30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
PubChem CID118361076
Molecular FormulaC42H23NOS
Molecular Weight589.72 g/mol
Exact Mass589.15
IUPAC Name30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
SMILESc1ccc2c(c1)oc1cc3c(cc12)c1ccccc1c1cc2c4ccccc4n(-c4cccc5c4sc4ccccc45)c2cc31
InChIInChI=1S/C42H23NOS/c1-2-11-25-24(10-1)30-20-34-26-12-3-6-16-36(26)43(37-17-9-15-29-28-14-5-8-19-41(28)45-42(29)37)38(34)22-32(30)33-23-40-35(21-31(25)33)27-13-4-7-18-39(27)44-40/h1-23H
InChIKeyJXSSKZLUIHVKDG-UHFFFAOYSA-N
XLogP12.51
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.72
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene 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

5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole
CID 90225193
11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-[1]benzofuro[3,2-b]carbazole
CID 155160182
12-dibenzofuran-1-yl-5-dibenzothiophen-4-ylindolo[3,2-c]carbazole
CID 168744266
9-dibenzothiophen-4-yl-3-methylcarbazole
CID 90224671
7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 146532880
3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 167557887
3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole
CID 161380088
2-N-dibenzofuran-2-yl-7-N,7-N-diphenyl-2-N-[8-(N-phenylanilino)dibenzofuran-2-yl]dibenzofuran-2,7-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine
CID 158809298
5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699163
9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole
CID 149098591
3-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 155379459
8-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-8-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-2,8-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine
CID 161307551

Frequently Asked Questions

What is the IUPAC name of 30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene?
The IUPAC name of 30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene (CID 118361076) is 30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene.
What is the SMILES notation for 30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene?
The canonical SMILES for 30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene is c1ccc2c(c1)oc1cc3c(cc12)c1ccccc1c1cc2c4ccccc4n(-c4cccc5c4sc4ccccc45)c2cc31.
What is the InChIKey of 30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene?
The InChIKey is JXSSKZLUIHVKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H23NOS/c1-2-11-25-24(10-1)30-20-34-26-12-3-6-16-36(26)43(37-17-9-15-29-28-14-5-8-19-41(28)45-42(29)37)38(34)22-32(30)33-23-40-35(21-31(25)33)27-13-4-7-18-39(27)44-40/h1-23H.
What are the key properties of 30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene?
30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene has a molecular weight of 589.72 g/mol, XLogP of 12.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene is sourced from PubChem (CID 118361076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).