Skip to content

11-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2,4,6,8,11,14(23),15,17,19,21-undecaene

C45H26N2S2 — CID 156515240

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC11-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2,4,6,8,11,14(23),15,17,19,21-undecaene
SMILESc1ccc2c(c1)ccc1c3cc(-c4ccc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)cc4)n4c5ccccc5nc4c3sc21
InChIInChI=1S/C45H26N2S2/c1-2-8-33-30(7-1)21-23-35-37-26-40(47-39-11-5-4-10-38(39)46-45(47)44(37)49-43(33)35)31-19-17-28(18-20-31)27-13-15-29(16-14-27)32-22-24-42-36(25-32)34-9-3-6-12-41(34)48-42/h1-26H
InChIKeyHSQWVQJKEUHQAO-UHFFFAOYSA-N
MW658.85 g/mol
LogP13.38
Rot. Bonds3

About 11-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2,4,6,8,11,14(23),15,17,19,21-undecaene

11-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2,4,6,8,11,14(23),15,17,19,21-undecaene (PubChem CID 156515240) has the molecular formula C45H26N2S2 and a molecular weight of 658.85 g/mol. Its IUPAC name is 11-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2,4,6,8,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name11-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2,4,6,8,11,14(23),15,17,19,21-undecaene
PubChem CID156515240
Molecular FormulaC45H26N2S2
Molecular Weight658.85 g/mol
Exact Mass658.15
IUPAC Name11-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2,4,6,8,11,14(23),15,17,19,21-undecaene
SMILESc1ccc2c(c1)ccc1c3cc(-c4ccc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)cc4)n4c5ccccc5nc4c3sc21
InChIInChI=1S/C45H26N2S2/c1-2-8-33-30(7-1)21-23-35-37-26-40(47-39-11-5-4-10-38(39)46-45(47)44(37)49-43(33)35)31-19-17-28(18-20-31)27-13-15-29(16-14-27)32-22-24-42-36(25-32)34-9-3-6-12-41(34)48-42/h1-26H
InChIKeyHSQWVQJKEUHQAO-UHFFFAOYSA-N
XLogP13.38
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.85
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2,4,6,8,11,14(23),15,17,19,21-undecaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2,4,6,8,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 11-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2,4,6,8,11,14(23),15,17,19,21-undecaene (CID 156515240) is 11-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2,4,6,8,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 11-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2,4,6,8,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 11-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2,4,6,8,11,14(23),15,17,19,21-undecaene is c1ccc2c(c1)ccc1c3cc(-c4ccc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)cc4)n4c5ccccc5nc4c3sc21.
What is the InChIKey of 11-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2,4,6,8,11,14(23),15,17,19,21-undecaene?
The InChIKey is HSQWVQJKEUHQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N2S2/c1-2-8-33-30(7-1)21-23-35-37-26-40(47-39-11-5-4-10-38(39)46-45(47)44(37)49-43(33)35)31-19-17-28(18-20-31)27-13-15-29(16-14-27)32-22-24-42-36(25-32)34-9-3-6-12-41(34)48-42/h1-26H.
What are the key properties of 11-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2,4,6,8,11,14(23),15,17,19,21-undecaene?
11-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2,4,6,8,11,14(23),15,17,19,21-undecaene has a molecular weight of 658.85 g/mol, XLogP of 13.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2,4,6,8,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 156515240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.