2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyridine;4-(8,8-dimethylindeno[1,2-a]thianthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyrimidine;2-(8,8-dimethylindeno[2,1-c]phenoxathiin-1-yl)-4-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)-1,3,5-triazine

C138H96N6O4S8 — CID 162133365

IUPAC2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyridine;4-(8,8-dimethylindeno[1,2-a]thianthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyrimidine;2-(8,8-dimethylindeno[2,1-c]phenoxathiin-1-yl)-4-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)-1,3,5-triazine
SMILESCC1(C)c2cc(-c3cc(-c4cccc5c4Sc4c(ccc6c4-c4ccccc4C6(C)C)S5)ncn3)ccc2-c2c1ccc1c2Sc2ccccc2S1.CC1(C)c2cc(-c3ncnc(-c4cccc5c4Oc4c(ccc6c4-c4ccccc4C6(C)C)S5)n3)ccc2-c2c1ccc1c2Oc2ccccc2S1.CC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2cccc(-c3ccc4c(c3)C(C)(C)c3ccc5c(c3-4)Sc3ccccc3S5)n2)O1
InChIInChI=1S/C47H33NO2S2.C46H32N2S4.C45H31N3O2S2/c1-46(2)30-13-6-5-11-27(30)41-31(46)21-23-37-44(41)50-43-29(12-9-16-36(43)49-37)35-15-10-14-34(48-35)26-19-20-28-33(25-26)47(3,4)32-22-24-40-45(42(28)32)52-39-18-8-7-17-38(39)51-40;1-45(2)29-12-6-5-10-26(29)40-30(45)18-21-39-44(40)52-42-28(11-9-15-37(42)50-39)34-23-33(47-24-48-34)25-16-17-27-32(22-25)46(3,4)31-19-20-38-43(41(27)31)51-36-14-8-7-13-35(36)49-38;1-44(2)28-12-6-5-10-25(28)37-29(44)18-21-36-41(37)50-39-27(11-9-15-34(39)52-36)43-47-23-46-42(48-43)24-16-17-26-31(22-24)45(3,4)30-19-20-35-40(38(26)30)49-32-13-7-8-14-33(32)51-35/h5-25H,1-4H3;5-24H,1-4H3;5-23H,1-4H3
InChIKeyZIYJYZOSNQBHGF-UHFFFAOYSA-N
MW2158.86 g/mol
LogP39.53
Rot. Bonds6

About 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyridine;4-(8,8-dimethylindeno[1,2-a]thianthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyrimidine;2-(8,8-dimethylindeno[2,1-c]phenoxathiin-1-yl)-4-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)-1,3,5-triazine

2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyridine;4-(8,8-dimethylindeno[1,2-a]thianthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyrimidine;2-(8,8-dimethylindeno[2,1-c]phenoxathiin-1-yl)-4-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)-1,3,5-triazine (PubChem CID 162133365) has the molecular formula C138H96N6O4S8 and a molecular weight of 2158.86 g/mol. Its IUPAC name is 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyridine;4-(8,8-dimethylindeno[1,2-a]thianthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyrimidine;2-(8,8-dimethylindeno[2,1-c]phenoxathiin-1-yl)-4-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyridine;4-(8,8-dimethylindeno[1,2-a]thianthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyrimidine;2-(8,8-dimethylindeno[2,1-c]phenoxathiin-1-yl)-4-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)-1,3,5-triazine
PubChem CID162133365
Molecular FormulaC138H96N6O4S8
Molecular Weight2158.86 g/mol
Exact Mass2156.53
IUPAC Name2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyridine;4-(8,8-dimethylindeno[1,2-a]thianthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyrimidine;2-(8,8-dimethylindeno[2,1-c]phenoxathiin-1-yl)-4-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)-1,3,5-triazine
SMILESCC1(C)c2cc(-c3cc(-c4cccc5c4Sc4c(ccc6c4-c4ccccc4C6(C)C)S5)ncn3)ccc2-c2c1ccc1c2Sc2ccccc2S1.CC1(C)c2cc(-c3ncnc(-c4cccc5c4Oc4c(ccc6c4-c4ccccc4C6(C)C)S5)n3)ccc2-c2c1ccc1c2Oc2ccccc2S1.CC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2cccc(-c3ccc4c(c3)C(C)(C)c3ccc5c(c3-4)Sc3ccccc3S5)n2)O1
InChIInChI=1S/C47H33NO2S2.C46H32N2S4.C45H31N3O2S2/c1-46(2)30-13-6-5-11-27(30)41-31(46)21-23-37-44(41)50-43-29(12-9-16-36(43)49-37)35-15-10-14-34(48-35)26-19-20-28-33(25-26)47(3,4)32-22-24-40-45(42(28)32)52-39-18-8-7-17-38(39)51-40;1-45(2)29-12-6-5-10-26(29)40-30(45)18-21-39-44(40)52-42-28(11-9-15-37(42)50-39)34-23-33(47-24-48-34)25-16-17-27-32(22-25)46(3,4)31-19-20-38-43(41(27)31)51-36-14-8-7-13-35(36)49-38;1-44(2)28-12-6-5-10-25(28)37-29(44)18-21-36-41(37)50-39-27(11-9-15-34(39)52-36)43-47-23-46-42(48-43)24-16-17-26-31(22-24)45(3,4)30-19-20-35-40(38(26)30)49-32-13-7-8-14-33(32)51-35/h5-25H,1-4H3;5-24H,1-4H3;5-23H,1-4H3
InChIKeyZIYJYZOSNQBHGF-UHFFFAOYSA-N
XLogP39.53
TPSA114.26 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002158.86
LogP ≤ 539.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyridine;4-(8,8-dimethylindeno[1,2-a]thianthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyrimidine;2-(8,8-dimethylindeno[2,1-c]phenoxathiin-1-yl)-4-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-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-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)-6-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)pyridine
CID 118081422
1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene
CID 118081394
4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575587
1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[2,1-c]phenoxathiine
CID 118081393
2-(8-methyl-8-phenylindeno[1,2-a]thianthren-1-yl)-4-(5,5,8-trimethyl-8-phenylindeno[2,1-c]xanthen-1-yl)pyrimidine
CID 118081454
N-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine
CID 123954499
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 138576210
2-(9,9-dimethylfluoren-2-yl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575751
2-[3-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575721
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-4-(3-phenylphenyl)pyridine
CID 138575977
2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 138575917
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138574909

Frequently Asked Questions

What is the IUPAC name of 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyridine;4-(8,8-dimethylindeno[1,2-a]thianthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyrimidine;2-(8,8-dimethylindeno[2,1-c]phenoxathiin-1-yl)-4-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)-1,3,5-triazine?
The IUPAC name of 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyridine;4-(8,8-dimethylindeno[1,2-a]thianthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyrimidine;2-(8,8-dimethylindeno[2,1-c]phenoxathiin-1-yl)-4-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)-1,3,5-triazine (CID 162133365) is 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyridine;4-(8,8-dimethylindeno[1,2-a]thianthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyrimidine;2-(8,8-dimethylindeno[2,1-c]phenoxathiin-1-yl)-4-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyridine;4-(8,8-dimethylindeno[1,2-a]thianthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyrimidine;2-(8,8-dimethylindeno[2,1-c]phenoxathiin-1-yl)-4-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)-1,3,5-triazine?
The canonical SMILES for 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyridine;4-(8,8-dimethylindeno[1,2-a]thianthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyrimidine;2-(8,8-dimethylindeno[2,1-c]phenoxathiin-1-yl)-4-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)-1,3,5-triazine is CC1(C)c2cc(-c3cc(-c4cccc5c4Sc4c(ccc6c4-c4ccccc4C6(C)C)S5)ncn3)ccc2-c2c1ccc1c2Sc2ccccc2S1.CC1(C)c2cc(-c3ncnc(-c4cccc5c4Oc4c(ccc6c4-c4ccccc4C6(C)C)S5)n3)ccc2-c2c1ccc1c2Oc2ccccc2S1.CC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2cccc(-c3ccc4c(c3)C(C)(C)c3ccc5c(c3-4)Sc3ccccc3S5)n2)O1.
What is the InChIKey of 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyridine;4-(8,8-dimethylindeno[1,2-a]thianthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyrimidine;2-(8,8-dimethylindeno[2,1-c]phenoxathiin-1-yl)-4-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)-1,3,5-triazine?
The InChIKey is ZIYJYZOSNQBHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NO2S2.C46H32N2S4.C45H31N3O2S2/c1-46(2)30-13-6-5-11-27(30)41-31(46)21-23-37-44(41)50-43-29(12-9-16-36(43)49-37)35-15-10-14-34(48-35)26-19-20-28-33(25-26)47(3,4)32-22-24-40-45(42(28)32)52-39-18-8-7-17-38(39)51-40;1-45(2)29-12-6-5-10-26(29)40-30(45)18-21-39-44(40)52-42-28(11-9-15-37(42)50-39)34-23-33(47-24-48-34)25-16-17-27-32(22-25)46(3,4)31-19-20-38-43(41(27)31)51-36-14-8-7-13-35(36)49-38;1-44(2)28-12-6-5-10-25(28)37-29(44)18-21-36-41(37)50-39-27(11-9-15-34(39)52-36)43-47-23-46-42(48-43)24-16-17-26-31(22-24)45(3,4)30-19-20-35-40(38(26)30)49-32-13-7-8-14-33(32)51-35/h5-25H,1-4H3;5-24H,1-4H3;5-23H,1-4H3.
What are the key properties of 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyridine;4-(8,8-dimethylindeno[1,2-a]thianthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyrimidine;2-(8,8-dimethylindeno[2,1-c]phenoxathiin-1-yl)-4-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)-1,3,5-triazine?
2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyridine;4-(8,8-dimethylindeno[1,2-a]thianthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyrimidine;2-(8,8-dimethylindeno[2,1-c]phenoxathiin-1-yl)-4-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)-1,3,5-triazine has a molecular weight of 2158.86 g/mol, XLogP of 39.53, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyridine;4-(8,8-dimethylindeno[1,2-a]thianthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyrimidine;2-(8,8-dimethylindeno[2,1-c]phenoxathiin-1-yl)-4-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)-1,3,5-triazine is sourced from PubChem (CID 162133365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).