10-([1]benzothiolo[2,3-b]pyrazin-7-yl)spiro[acridine-9,9'-xanthene]

C35H21N3OS — CID 134351400

IUPAC10-([1]benzothiolo[2,3-b]pyrazin-7-yl)spiro[acridine-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2N(c2ccc3c(c2)sc2nccnc23)c2ccccc21
InChIInChI=1S/C35H21N3OS/c1-5-13-28-24(9-1)35(26-11-3-7-15-30(26)39-31-16-8-4-12-27(31)35)25-10-2-6-14-29(25)38(28)22-17-18-23-32(21-22)40-34-33(23)36-19-20-37-34/h1-21H
InChIKeyGKMYQGPYHXSQJJ-UHFFFAOYSA-N
MW531.64 g/mol
LogP9.12
Rot. Bonds1

About 10-([1]benzothiolo[2,3-b]pyrazin-7-yl)spiro[acridine-9,9'-xanthene]

10-([1]benzothiolo[2,3-b]pyrazin-7-yl)spiro[acridine-9,9'-xanthene] (PubChem CID 134351400) has the molecular formula C35H21N3OS and a molecular weight of 531.64 g/mol. Its IUPAC name is 10-([1]benzothiolo[2,3-b]pyrazin-7-yl)spiro[acridine-9,9'-xanthene].

Molecular Properties

Compound Name10-([1]benzothiolo[2,3-b]pyrazin-7-yl)spiro[acridine-9,9'-xanthene]
PubChem CID134351400
Molecular FormulaC35H21N3OS
Molecular Weight531.64 g/mol
Exact Mass531.14
IUPAC Name10-([1]benzothiolo[2,3-b]pyrazin-7-yl)spiro[acridine-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2N(c2ccc3c(c2)sc2nccnc23)c2ccccc21
InChIInChI=1S/C35H21N3OS/c1-5-13-28-24(9-1)35(26-11-3-7-15-30(26)39-31-16-8-4-12-27(31)35)25-10-2-6-14-29(25)38(28)22-17-18-23-32(21-22)40-34-33(23)36-19-20-37-34/h1-21H
InChIKeyGKMYQGPYHXSQJJ-UHFFFAOYSA-N
XLogP9.12
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.64
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-([1]benzothiolo[2,3-b]pyrazin-7-yl)spiro[acridine-9,9'-xanthene]?
The IUPAC name of 10-([1]benzothiolo[2,3-b]pyrazin-7-yl)spiro[acridine-9,9'-xanthene] (CID 134351400) is 10-([1]benzothiolo[2,3-b]pyrazin-7-yl)spiro[acridine-9,9'-xanthene].
What is the SMILES notation for 10-([1]benzothiolo[2,3-b]pyrazin-7-yl)spiro[acridine-9,9'-xanthene]?
The canonical SMILES for 10-([1]benzothiolo[2,3-b]pyrazin-7-yl)spiro[acridine-9,9'-xanthene] is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2N(c2ccc3c(c2)sc2nccnc23)c2ccccc21.
What is the InChIKey of 10-([1]benzothiolo[2,3-b]pyrazin-7-yl)spiro[acridine-9,9'-xanthene]?
The InChIKey is GKMYQGPYHXSQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3OS/c1-5-13-28-24(9-1)35(26-11-3-7-15-30(26)39-31-16-8-4-12-27(31)35)25-10-2-6-14-29(25)38(28)22-17-18-23-32(21-22)40-34-33(23)36-19-20-37-34/h1-21H.
What are the key properties of 10-([1]benzothiolo[2,3-b]pyrazin-7-yl)spiro[acridine-9,9'-xanthene]?
10-([1]benzothiolo[2,3-b]pyrazin-7-yl)spiro[acridine-9,9'-xanthene] has a molecular weight of 531.64 g/mol, XLogP of 9.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-([1]benzothiolo[2,3-b]pyrazin-7-yl)spiro[acridine-9,9'-xanthene] is sourced from PubChem (CID 134351400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).