[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite

C38H22FN3OS — CID 139421557

IUPAC[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite
SMILESFSc1cccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)c5ccccc5n4)cc3c12
InChIInChI=1S/C38H22FN3OS/c39-44-35-16-8-15-34-36(35)29-22-25(18-20-33(29)43-34)24-17-19-32-28(21-24)26-11-5-7-14-31(26)42(32)38-40-30-13-6-4-12-27(30)37(41-38)23-9-2-1-3-10-23/h1-22H
InChIKeyRXJJUNYSMAUPCA-UHFFFAOYSA-N
MW587.68 g/mol
LogP10.94
Rot. Bonds4

About [8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite

[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite (PubChem CID 139421557) has the molecular formula C38H22FN3OS and a molecular weight of 587.68 g/mol. Its IUPAC name is [8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite
PubChem CID139421557
Molecular FormulaC38H22FN3OS
Molecular Weight587.68 g/mol
Exact Mass587.15
IUPAC Name[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite
SMILESFSc1cccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)c5ccccc5n4)cc3c12
InChIInChI=1S/C38H22FN3OS/c39-44-35-16-8-15-34-36(35)29-22-25(18-20-33(29)43-34)24-17-19-32-28(21-24)26-11-5-7-14-31(26)42(32)38-40-30-13-6-4-12-27(30)37(41-38)23-9-2-1-3-10-23/h1-22H
InChIKeyRXJJUNYSMAUPCA-UHFFFAOYSA-N
XLogP10.94
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.68
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite?
The IUPAC name of [8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite (CID 139421557) is [8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite.
What is the SMILES notation for [8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite?
The canonical SMILES for [8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite is FSc1cccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)c5ccccc5n4)cc3c12.
What is the InChIKey of [8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite?
The InChIKey is RXJJUNYSMAUPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22FN3OS/c39-44-35-16-8-15-34-36(35)29-22-25(18-20-33(29)43-34)24-17-19-32-28(21-24)26-11-5-7-14-31(26)42(32)38-40-30-13-6-4-12-27(30)37(41-38)23-9-2-1-3-10-23/h1-22H.
What are the key properties of [8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite?
[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite has a molecular weight of 587.68 g/mol, XLogP of 10.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite is sourced from PubChem (CID 139421557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).