7,7,13-triphenylthiochromeno[2,3-a]carbazole 12,12-dioxide

C37H25NO2S — CID 140938127

IUPAC7,7,13-triphenylthiochromeno[2,3-a]carbazole 12,12-dioxide
SMILESO=S1(=O)c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C37H25NO2S/c39-41(40)34-23-13-11-21-31(34)37(26-14-4-1-5-15-26,27-16-6-2-7-17-27)32-25-24-30-29-20-10-12-22-33(29)38(35(30)36(32)41)28-18-8-3-9-19-28/h1-25H
InChIKeyYTIGCFWSCQSIBO-UHFFFAOYSA-N
MW547.68 g/mol
LogP8.31
Rot. Bonds3

About 7,7,13-triphenylthiochromeno[2,3-a]carbazole 12,12-dioxide

7,7,13-triphenylthiochromeno[2,3-a]carbazole 12,12-dioxide (PubChem CID 140938127) has the molecular formula C37H25NO2S and a molecular weight of 547.68 g/mol. Its IUPAC name is 7,7,13-triphenylthiochromeno[2,3-a]carbazole 12,12-dioxide.

Molecular Properties

Compound Name7,7,13-triphenylthiochromeno[2,3-a]carbazole 12,12-dioxide
PubChem CID140938127
Molecular FormulaC37H25NO2S
Molecular Weight547.68 g/mol
Exact Mass547.16
IUPAC Name7,7,13-triphenylthiochromeno[2,3-a]carbazole 12,12-dioxide
SMILESO=S1(=O)c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C37H25NO2S/c39-41(40)34-23-13-11-21-31(34)37(26-14-4-1-5-15-26,27-16-6-2-7-17-27)32-25-24-30-29-20-10-12-22-33(29)38(35(30)36(32)41)28-18-8-3-9-19-28/h1-25H
InChIKeyYTIGCFWSCQSIBO-UHFFFAOYSA-N
XLogP8.31
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.68
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7,13-triphenylthiochromeno[2,3-a]carbazole 12,12-dioxide?
The IUPAC name of 7,7,13-triphenylthiochromeno[2,3-a]carbazole 12,12-dioxide (CID 140938127) is 7,7,13-triphenylthiochromeno[2,3-a]carbazole 12,12-dioxide.
What is the SMILES notation for 7,7,13-triphenylthiochromeno[2,3-a]carbazole 12,12-dioxide?
The canonical SMILES for 7,7,13-triphenylthiochromeno[2,3-a]carbazole 12,12-dioxide is O=S1(=O)c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c21.
What is the InChIKey of 7,7,13-triphenylthiochromeno[2,3-a]carbazole 12,12-dioxide?
The InChIKey is YTIGCFWSCQSIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25NO2S/c39-41(40)34-23-13-11-21-31(34)37(26-14-4-1-5-15-26,27-16-6-2-7-17-27)32-25-24-30-29-20-10-12-22-33(29)38(35(30)36(32)41)28-18-8-3-9-19-28/h1-25H.
What are the key properties of 7,7,13-triphenylthiochromeno[2,3-a]carbazole 12,12-dioxide?
7,7,13-triphenylthiochromeno[2,3-a]carbazole 12,12-dioxide has a molecular weight of 547.68 g/mol, XLogP of 8.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,13-triphenylthiochromeno[2,3-a]carbazole 12,12-dioxide is sourced from PubChem (CID 140938127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).