3-dibenzothiophen-3-yl-24-thia-3,20-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene

C33H18N2S2 — CID 122524227

IUPAC3-dibenzothiophen-3-yl-24-thia-3,20-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
SMILESc1cnc2cc3sc4c(ccc5c6ccccc6n(-c6ccc7c(c6)sc6ccccc67)c54)c3cc2c1
InChIInChI=1S/C33H18N2S2/c1-3-9-28-21(7-1)24-13-14-25-26-16-19-6-5-15-34-27(19)18-31(26)37-33(25)32(24)35(28)20-11-12-23-22-8-2-4-10-29(22)36-30(23)17-20/h1-18H
InChIKeyOUYFIFKATRWQKM-UHFFFAOYSA-N
MW506.66 g/mol
LogP10.07
Rot. Bonds1

About 3-dibenzothiophen-3-yl-24-thia-3,20-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene

3-dibenzothiophen-3-yl-24-thia-3,20-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene (PubChem CID 122524227) has the molecular formula C33H18N2S2 and a molecular weight of 506.66 g/mol. Its IUPAC name is 3-dibenzothiophen-3-yl-24-thia-3,20-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name3-dibenzothiophen-3-yl-24-thia-3,20-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
PubChem CID122524227
Molecular FormulaC33H18N2S2
Molecular Weight506.66 g/mol
Exact Mass506.09
IUPAC Name3-dibenzothiophen-3-yl-24-thia-3,20-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
SMILESc1cnc2cc3sc4c(ccc5c6ccccc6n(-c6ccc7c(c6)sc6ccccc67)c54)c3cc2c1
InChIInChI=1S/C33H18N2S2/c1-3-9-28-21(7-1)24-13-14-25-26-16-19-6-5-15-34-27(19)18-31(26)37-33(25)32(24)35(28)20-11-12-23-22-8-2-4-10-29(22)36-30(23)17-20/h1-18H
InChIKeyOUYFIFKATRWQKM-UHFFFAOYSA-N
XLogP10.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.66
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-dibenzothiophen-3-yl-24-thia-3,20-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene with MolForge

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Related Compounds

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12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole
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3-quinazolin-2-yl-24-thia-3,17,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122524119
3-naphthalen-2-yl-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 118602453
3,8-di(carbazol-9-yl)-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 67952823
12-dibenzothiophen-2-yl-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 118488623
12-phenanthren-9-yl-[1]benzothiolo[2,3-a]carbazole
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9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 163428513
5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole
CID 170393793
3-dibenzothiophen-4-yl-24,24-dimethyl-3,20-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 122524240
4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[5-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-cyanophenyl]benzonitrile
CID 169287426
12-[3-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole
CID 154946566

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-3-yl-24-thia-3,20-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 3-dibenzothiophen-3-yl-24-thia-3,20-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene (CID 122524227) is 3-dibenzothiophen-3-yl-24-thia-3,20-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 3-dibenzothiophen-3-yl-24-thia-3,20-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 3-dibenzothiophen-3-yl-24-thia-3,20-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene is c1cnc2cc3sc4c(ccc5c6ccccc6n(-c6ccc7c(c6)sc6ccccc67)c54)c3cc2c1.
What is the InChIKey of 3-dibenzothiophen-3-yl-24-thia-3,20-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
The InChIKey is OUYFIFKATRWQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18N2S2/c1-3-9-28-21(7-1)24-13-14-25-26-16-19-6-5-15-34-27(19)18-31(26)37-33(25)32(24)35(28)20-11-12-23-22-8-2-4-10-29(22)36-30(23)17-20/h1-18H.
What are the key properties of 3-dibenzothiophen-3-yl-24-thia-3,20-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
3-dibenzothiophen-3-yl-24-thia-3,20-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene has a molecular weight of 506.66 g/mol, XLogP of 10.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-3-yl-24-thia-3,20-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 122524227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).