2-(5a,9a-dihydrodibenzothiophen-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine

C48H35N3S — CID 167349749

IUPAC2-(5a,9a-dihydrodibenzothiophen-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)nc(-c4cccc5c4SC4C=CC=CC54)n3)c21
InChIInChI=1S/C48H35N3S/c1-48(2)41-25-11-9-19-33(41)35-21-13-23-38(43(35)48)46-49-45(50-47(51-46)39-24-14-22-36-34-20-10-12-26-42(34)52-44(36)39)37-28-27-32(30-15-5-3-6-16-30)29-40(37)31-17-7-4-8-18-31/h3-29,34,42H,1-2H3
InChIKeyVEXNDUKXHVWKSD-UHFFFAOYSA-N
MW685.90 g/mol
LogP12.20
Rot. Bonds5

About 2-(5a,9a-dihydrodibenzothiophen-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine

2-(5a,9a-dihydrodibenzothiophen-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine (PubChem CID 167349749) has the molecular formula C48H35N3S and a molecular weight of 685.90 g/mol. Its IUPAC name is 2-(5a,9a-dihydrodibenzothiophen-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(5a,9a-dihydrodibenzothiophen-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine
PubChem CID167349749
Molecular FormulaC48H35N3S
Molecular Weight685.90 g/mol
Exact Mass685.26
IUPAC Name2-(5a,9a-dihydrodibenzothiophen-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)nc(-c4cccc5c4SC4C=CC=CC54)n3)c21
InChIInChI=1S/C48H35N3S/c1-48(2)41-25-11-9-19-33(41)35-21-13-23-38(43(35)48)46-49-45(50-47(51-46)39-24-14-22-36-34-20-10-12-26-42(34)52-44(36)39)37-28-27-32(30-15-5-3-6-16-30)29-40(37)31-17-7-4-8-18-31/h3-29,34,42H,1-2H3
InChIKeyVEXNDUKXHVWKSD-UHFFFAOYSA-N
XLogP12.20
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.90
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5a,9a-dihydrodibenzothiophen-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-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-(5a,9a-dihydrodibenzofuran-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine
CID 167349804
2-dibenzothiophen-4-yl-4-(9,9-dimethylfluoren-1-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349694
2-(9,9-dimethyl-7-phenylfluoren-1-yl)-4,6-bis(3-phenylphenyl)pyrimidine
CID 126544505
2-[7-(4b,8a-dihydrotriphenylen-2-yl)dibenzothiophen-3-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 155002467
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5a,9a-dihydrodibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 145328046
2-[3-(9,9-dimethylfluoren-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150867
2-(9,9-dimethylfluoren-1-yl)-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 126544515
2-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146187818
2-dibenzothiophen-4-yl-4-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160151
4-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-2,6-bis(3-phenylphenyl)pyrimidine
CID 167344536
2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 167344623
2-(9,9-dimethylfluoren-1-yl)-4-phenyl-6-(11-pyrimidin-2-yl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl)-1,3,5-triazine
CID 165150982

Frequently Asked Questions

What is the IUPAC name of 2-(5a,9a-dihydrodibenzothiophen-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(5a,9a-dihydrodibenzothiophen-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine (CID 167349749) is 2-(5a,9a-dihydrodibenzothiophen-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(5a,9a-dihydrodibenzothiophen-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(5a,9a-dihydrodibenzothiophen-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)nc(-c4cccc5c4SC4C=CC=CC54)n3)c21.
What is the InChIKey of 2-(5a,9a-dihydrodibenzothiophen-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine?
The InChIKey is VEXNDUKXHVWKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N3S/c1-48(2)41-25-11-9-19-33(41)35-21-13-23-38(43(35)48)46-49-45(50-47(51-46)39-24-14-22-36-34-20-10-12-26-42(34)52-44(36)39)37-28-27-32(30-15-5-3-6-16-30)29-40(37)31-17-7-4-8-18-31/h3-29,34,42H,1-2H3.
What are the key properties of 2-(5a,9a-dihydrodibenzothiophen-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine?
2-(5a,9a-dihydrodibenzothiophen-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine has a molecular weight of 685.90 g/mol, XLogP of 12.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5a,9a-dihydrodibenzothiophen-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167349749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).