8,16-bis(2,4,6-trimethylphenyl)thioxantheno[3,2-b]thioxanthene

C42H34S2 — CID 132538195

IUPAC8,16-bis(2,4,6-trimethylphenyl)thioxantheno[3,2-b]thioxanthene
SMILESCc1cc(C)c(C2=c3cc4cc5c(cc4cc3Sc3ccccc32)=C(c2c(C)cc(C)cc2C)c2ccccc2S5)c(C)c1
InChIInChI=1S/C42H34S2/c1-23-15-25(3)39(26(4)16-23)41-31-11-7-9-13-35(31)43-37-21-30-20-34-38(22-29(30)19-33(37)41)44-36-14-10-8-12-32(36)42(34)40-27(5)17-24(2)18-28(40)6/h7-22H,1-6H3
InChIKeyKFEKDDJIQQEXPX-UHFFFAOYSA-N
MW602.87 g/mol
LogP10.11
Rot. Bonds2

About 8,16-bis(2,4,6-trimethylphenyl)thioxantheno[3,2-b]thioxanthene

8,16-bis(2,4,6-trimethylphenyl)thioxantheno[3,2-b]thioxanthene (PubChem CID 132538195) has the molecular formula C42H34S2 and a molecular weight of 602.87 g/mol. Its IUPAC name is 8,16-bis(2,4,6-trimethylphenyl)thioxantheno[3,2-b]thioxanthene.

Molecular Properties

Compound Name8,16-bis(2,4,6-trimethylphenyl)thioxantheno[3,2-b]thioxanthene
PubChem CID132538195
Molecular FormulaC42H34S2
Molecular Weight602.87 g/mol
Exact Mass602.21
IUPAC Name8,16-bis(2,4,6-trimethylphenyl)thioxantheno[3,2-b]thioxanthene
SMILESCc1cc(C)c(C2=c3cc4cc5c(cc4cc3Sc3ccccc32)=C(c2c(C)cc(C)cc2C)c2ccccc2S5)c(C)c1
InChIInChI=1S/C42H34S2/c1-23-15-25(3)39(26(4)16-23)41-31-11-7-9-13-35(31)43-37-21-30-20-34-38(22-29(30)19-33(37)41)44-36-14-10-8-12-32(36)42(34)40-27(5)17-24(2)18-28(40)6/h7-22H,1-6H3
InChIKeyKFEKDDJIQQEXPX-UHFFFAOYSA-N
XLogP10.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.87
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8,16-bis(2,4,6-trimethylphenyl)thioxantheno[3,2-b]thioxanthene 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

12,17,29,34-tetrakis(2,4,6-trimethylphenyl)nonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
CID 162416678
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
benzo[b]thianthrene
CID 19906774
1,3-bis(2,4,6-trimethylphenyl)-2-benzothiophene
CID 14668871
9-[3-[2,5-di(thioxanthen-9-ylidene)thiophen-3-yl]-5-thioxanthen-9-ylidenethiophen-2-ylidene]thioxanthene
CID 132511208
phosphoroso-[2-(2,4,6-trimethylphenyl)phenyl]methanone
CID 87885777
2-[9-(2,4,6-trimethylphenyl)xanthen-3-ylidene]propanedinitrile
CID 16753893
(9Z)-9-ethylidene-2-methylthioxanthene
CID 71035873
2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
CID 132518583
CID 134905872
CID 134905872
CID 137158148
CID 137158148
2-phenyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-amine
CID 63469518

Frequently Asked Questions

What is the IUPAC name of 8,16-bis(2,4,6-trimethylphenyl)thioxantheno[3,2-b]thioxanthene?
The IUPAC name of 8,16-bis(2,4,6-trimethylphenyl)thioxantheno[3,2-b]thioxanthene (CID 132538195) is 8,16-bis(2,4,6-trimethylphenyl)thioxantheno[3,2-b]thioxanthene.
What is the SMILES notation for 8,16-bis(2,4,6-trimethylphenyl)thioxantheno[3,2-b]thioxanthene?
The canonical SMILES for 8,16-bis(2,4,6-trimethylphenyl)thioxantheno[3,2-b]thioxanthene is Cc1cc(C)c(C2=c3cc4cc5c(cc4cc3Sc3ccccc32)=C(c2c(C)cc(C)cc2C)c2ccccc2S5)c(C)c1.
What is the InChIKey of 8,16-bis(2,4,6-trimethylphenyl)thioxantheno[3,2-b]thioxanthene?
The InChIKey is KFEKDDJIQQEXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34S2/c1-23-15-25(3)39(26(4)16-23)41-31-11-7-9-13-35(31)43-37-21-30-20-34-38(22-29(30)19-33(37)41)44-36-14-10-8-12-32(36)42(34)40-27(5)17-24(2)18-28(40)6/h7-22H,1-6H3.
What are the key properties of 8,16-bis(2,4,6-trimethylphenyl)thioxantheno[3,2-b]thioxanthene?
8,16-bis(2,4,6-trimethylphenyl)thioxantheno[3,2-b]thioxanthene has a molecular weight of 602.87 g/mol, XLogP of 10.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,16-bis(2,4,6-trimethylphenyl)thioxantheno[3,2-b]thioxanthene is sourced from PubChem (CID 132538195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).