4-dibenzothiophen-3-yl-2-(9,9-dimethylthioxanthen-2-yl)quinazoline

C35H24N2S2 — CID 163550410

IUPAC4-dibenzothiophen-3-yl-2-(9,9-dimethylthioxanthen-2-yl)quinazoline
SMILESCC1(C)c2ccccc2Sc2ccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)c4ccccc4n3)cc21
InChIInChI=1S/C35H24N2S2/c1-35(2)26-11-5-8-14-30(26)39-31-18-16-22(19-27(31)35)34-36-28-12-6-3-10-25(28)33(37-34)21-15-17-24-23-9-4-7-13-29(23)38-32(24)20-21/h3-20H,1-2H3
InChIKeyFIOVJGLIXLBXHV-UHFFFAOYSA-N
MW536.73 g/mol
LogP10.12
Rot. Bonds2

About 4-dibenzothiophen-3-yl-2-(9,9-dimethylthioxanthen-2-yl)quinazoline

4-dibenzothiophen-3-yl-2-(9,9-dimethylthioxanthen-2-yl)quinazoline (PubChem CID 163550410) has the molecular formula C35H24N2S2 and a molecular weight of 536.73 g/mol. Its IUPAC name is 4-dibenzothiophen-3-yl-2-(9,9-dimethylthioxanthen-2-yl)quinazoline.

Molecular Properties

Compound Name4-dibenzothiophen-3-yl-2-(9,9-dimethylthioxanthen-2-yl)quinazoline
PubChem CID163550410
Molecular FormulaC35H24N2S2
Molecular Weight536.73 g/mol
Exact Mass536.14
IUPAC Name4-dibenzothiophen-3-yl-2-(9,9-dimethylthioxanthen-2-yl)quinazoline
SMILESCC1(C)c2ccccc2Sc2ccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)c4ccccc4n3)cc21
InChIInChI=1S/C35H24N2S2/c1-35(2)26-11-5-8-14-30(26)39-31-18-16-22(19-27(31)35)34-36-28-12-6-3-10-25(28)33(37-34)21-15-17-24-23-9-4-7-13-29(23)38-32(24)20-21/h3-20H,1-2H3
InChIKeyFIOVJGLIXLBXHV-UHFFFAOYSA-N
XLogP10.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.73
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(9,9-dimethylthioxanthen-3-yl)phenyl]-4-phenylquinazoline
CID 166908324
2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166995808
4-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylquinazoline
CID 167178363
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylquinazoline
CID 155328603
4-phenyl-2-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-yl)quinazoline
CID 147261870
2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenylpyrimidine
CID 146495307
2-[7-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]dibenzothiophen-3-yl]-4-(3-phenylphenyl)quinazoline
CID 118640887
4-[4-[2-(9,9-dimethylthioxanthen-1-yl)phenyl]phenyl]-2-phenylquinazoline
CID 166908532
2-[4-(9,9-dimethylthioxanthen-3-yl)phenyl]-4-fluoranthen-3-ylquinazoline
CID 166908242
7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline
CID 165028329
4-dibenzothiophen-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)pyrimidine
CID 146327038
9,9-dimethyl-2-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]thioxanthene-3-carbonitrile
CID 163512881

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-3-yl-2-(9,9-dimethylthioxanthen-2-yl)quinazoline?
The IUPAC name of 4-dibenzothiophen-3-yl-2-(9,9-dimethylthioxanthen-2-yl)quinazoline (CID 163550410) is 4-dibenzothiophen-3-yl-2-(9,9-dimethylthioxanthen-2-yl)quinazoline.
What is the SMILES notation for 4-dibenzothiophen-3-yl-2-(9,9-dimethylthioxanthen-2-yl)quinazoline?
The canonical SMILES for 4-dibenzothiophen-3-yl-2-(9,9-dimethylthioxanthen-2-yl)quinazoline is CC1(C)c2ccccc2Sc2ccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)c4ccccc4n3)cc21.
What is the InChIKey of 4-dibenzothiophen-3-yl-2-(9,9-dimethylthioxanthen-2-yl)quinazoline?
The InChIKey is FIOVJGLIXLBXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N2S2/c1-35(2)26-11-5-8-14-30(26)39-31-18-16-22(19-27(31)35)34-36-28-12-6-3-10-25(28)33(37-34)21-15-17-24-23-9-4-7-13-29(23)38-32(24)20-21/h3-20H,1-2H3.
What are the key properties of 4-dibenzothiophen-3-yl-2-(9,9-dimethylthioxanthen-2-yl)quinazoline?
4-dibenzothiophen-3-yl-2-(9,9-dimethylthioxanthen-2-yl)quinazoline has a molecular weight of 536.73 g/mol, XLogP of 10.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-3-yl-2-(9,9-dimethylthioxanthen-2-yl)quinazoline is sourced from PubChem (CID 163550410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).