8-chloro-4,4-diphenylpyrrolo[2,1-c][1,4]benzothiazine

C23H16ClNS — CID 10547388

IUPAC8-chloro-4,4-diphenylpyrrolo[2,1-c][1,4]benzothiazine
SMILESClc1ccc2c(c1)-n1cccc1C(c1ccccc1)(c1ccccc1)S2
InChIInChI=1S/C23H16ClNS/c24-19-13-14-21-20(16-19)25-15-7-12-22(25)23(26-21,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H
InChIKeyUQDZHNMCQYRRDI-UHFFFAOYSA-N
MW373.91 g/mol
LogP6.53
Rot. Bonds2

About 8-chloro-4,4-diphenylpyrrolo[2,1-c][1,4]benzothiazine

8-chloro-4,4-diphenylpyrrolo[2,1-c][1,4]benzothiazine (PubChem CID 10547388) has the molecular formula C23H16ClNS and a molecular weight of 373.91 g/mol. Its IUPAC name is 8-chloro-4,4-diphenylpyrrolo[2,1-c][1,4]benzothiazine.

Molecular Properties

Compound Name8-chloro-4,4-diphenylpyrrolo[2,1-c][1,4]benzothiazine
PubChem CID10547388
Molecular FormulaC23H16ClNS
Molecular Weight373.91 g/mol
Exact Mass373.07
IUPAC Name8-chloro-4,4-diphenylpyrrolo[2,1-c][1,4]benzothiazine
SMILESClc1ccc2c(c1)-n1cccc1C(c1ccccc1)(c1ccccc1)S2
InChIInChI=1S/C23H16ClNS/c24-19-13-14-21-20(16-19)25-15-7-12-22(25)23(26-21,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H
InChIKeyUQDZHNMCQYRRDI-UHFFFAOYSA-N
XLogP6.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.91
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4,4-diphenylpyrrolo[2,1-c][1,4]benzothiazine?
The IUPAC name of 8-chloro-4,4-diphenylpyrrolo[2,1-c][1,4]benzothiazine (CID 10547388) is 8-chloro-4,4-diphenylpyrrolo[2,1-c][1,4]benzothiazine.
What is the SMILES notation for 8-chloro-4,4-diphenylpyrrolo[2,1-c][1,4]benzothiazine?
The canonical SMILES for 8-chloro-4,4-diphenylpyrrolo[2,1-c][1,4]benzothiazine is Clc1ccc2c(c1)-n1cccc1C(c1ccccc1)(c1ccccc1)S2.
What is the InChIKey of 8-chloro-4,4-diphenylpyrrolo[2,1-c][1,4]benzothiazine?
The InChIKey is UQDZHNMCQYRRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNS/c24-19-13-14-21-20(16-19)25-15-7-12-22(25)23(26-21,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H.
What are the key properties of 8-chloro-4,4-diphenylpyrrolo[2,1-c][1,4]benzothiazine?
8-chloro-4,4-diphenylpyrrolo[2,1-c][1,4]benzothiazine has a molecular weight of 373.91 g/mol, XLogP of 6.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4,4-diphenylpyrrolo[2,1-c][1,4]benzothiazine is sourced from PubChem (CID 10547388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).