2,4-diphenyl-6-spiro[indeno[1,2-e][1]benzofuran-6,9'-thioxanthene]-2'-yl-1,3,5-triazine

C42H25N3OS — CID 167340476

IUPAC2,4-diphenyl-6-spiro[indeno[1,2-e][1]benzofuran-6,9'-thioxanthene]-2'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5S4)c4ccccc4-c4c3ccc3occc43)n2)cc1
InChIInChI=1S/C42H25N3OS/c1-3-11-26(12-4-1)39-43-40(27-13-5-2-6-14-27)45-41(44-39)28-19-22-37-34(25-28)42(32-17-9-10-18-36(32)47-37)31-16-8-7-15-29(31)38-30-23-24-46-35(30)21-20-33(38)42/h1-25H
InChIKeyQTZNFHLHWJQTDZ-UHFFFAOYSA-N
MW619.75 g/mol
LogP10.45
Rot. Bonds3

About 2,4-diphenyl-6-spiro[indeno[1,2-e][1]benzofuran-6,9'-thioxanthene]-2'-yl-1,3,5-triazine

2,4-diphenyl-6-spiro[indeno[1,2-e][1]benzofuran-6,9'-thioxanthene]-2'-yl-1,3,5-triazine (PubChem CID 167340476) has the molecular formula C42H25N3OS and a molecular weight of 619.75 g/mol. Its IUPAC name is 2,4-diphenyl-6-spiro[indeno[1,2-e][1]benzofuran-6,9'-thioxanthene]-2'-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-spiro[indeno[1,2-e][1]benzofuran-6,9'-thioxanthene]-2'-yl-1,3,5-triazine
PubChem CID167340476
Molecular FormulaC42H25N3OS
Molecular Weight619.75 g/mol
Exact Mass619.17
IUPAC Name2,4-diphenyl-6-spiro[indeno[1,2-e][1]benzofuran-6,9'-thioxanthene]-2'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5S4)c4ccccc4-c4c3ccc3occc43)n2)cc1
InChIInChI=1S/C42H25N3OS/c1-3-11-26(12-4-1)39-43-40(27-13-5-2-6-14-27)45-41(44-39)28-19-22-37-34(25-28)42(32-17-9-10-18-36(32)47-37)31-16-8-7-15-29(31)38-30-23-24-46-35(30)21-20-33(38)42/h1-25H
InChIKeyQTZNFHLHWJQTDZ-UHFFFAOYSA-N
XLogP10.45
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.75
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-diphenyl-6-spiro[indeno[1,2-e][1]benzofuran-6,9'-thioxanthene]-2'-yl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-diphenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-thioxanthene]-2'-yl-1,3,5-triazine
CID 147749545
3-phenyl-5-(4-phenylphenyl)-1-spiro[indeno[1,2-e][1]benzofuran-6,9'-thioxanthene]-8-ylpyrazin-1-ium
CID 176597266
2,4-diphenyl-6-[3-(3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-thioxanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 147415682
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2'-yl-1,3,5-triazine
CID 166738068
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine
CID 139307428
2-naphthalen-1-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)-1,3,5-triazine
CID 146327024
2-naphthalen-2-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)-1,3,5-triazine
CID 146327029
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)-1,3,5-triazine
CID 146326926
17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenylspiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene-9,9'-thioxanthene]
CID 146615937
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 159943034
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-thioxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 166738043
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine
CID 155767852

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-spiro[indeno[1,2-e][1]benzofuran-6,9'-thioxanthene]-2'-yl-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-spiro[indeno[1,2-e][1]benzofuran-6,9'-thioxanthene]-2'-yl-1,3,5-triazine (CID 167340476) is 2,4-diphenyl-6-spiro[indeno[1,2-e][1]benzofuran-6,9'-thioxanthene]-2'-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-spiro[indeno[1,2-e][1]benzofuran-6,9'-thioxanthene]-2'-yl-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-spiro[indeno[1,2-e][1]benzofuran-6,9'-thioxanthene]-2'-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5S4)c4ccccc4-c4c3ccc3occc43)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-spiro[indeno[1,2-e][1]benzofuran-6,9'-thioxanthene]-2'-yl-1,3,5-triazine?
The InChIKey is QTZNFHLHWJQTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3OS/c1-3-11-26(12-4-1)39-43-40(27-13-5-2-6-14-27)45-41(44-39)28-19-22-37-34(25-28)42(32-17-9-10-18-36(32)47-37)31-16-8-7-15-29(31)38-30-23-24-46-35(30)21-20-33(38)42/h1-25H.
What are the key properties of 2,4-diphenyl-6-spiro[indeno[1,2-e][1]benzofuran-6,9'-thioxanthene]-2'-yl-1,3,5-triazine?
2,4-diphenyl-6-spiro[indeno[1,2-e][1]benzofuran-6,9'-thioxanthene]-2'-yl-1,3,5-triazine has a molecular weight of 619.75 g/mol, XLogP of 10.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-spiro[indeno[1,2-e][1]benzofuran-6,9'-thioxanthene]-2'-yl-1,3,5-triazine is sourced from PubChem (CID 167340476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).