9-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-9-phenylacridine

C54H38N4S — CID 146513299

IUPAC9-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-9-phenylacridine
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C)c1N1c2ccccc2C(c2ccccc2)(c2ccc3sc4ccccc4c3c2)c2ccccc21
InChIInChI=1S/C54H38N4S/c1-35-32-39(53-56-51(37-18-6-3-7-19-37)55-52(57-53)38-20-8-4-9-21-38)33-36(2)50(35)58-46-27-15-13-25-44(46)54(40-22-10-5-11-23-40,45-26-14-16-28-47(45)58)41-30-31-49-43(34-41)42-24-12-17-29-48(42)59-49/h3-34H,1-2H3
InChIKeyNNLUEPFRSLLHGU-UHFFFAOYSA-N
MW774.99 g/mol
LogP14.02
Rot. Bonds6

About 9-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-9-phenylacridine

9-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-9-phenylacridine (PubChem CID 146513299) has the molecular formula C54H38N4S and a molecular weight of 774.99 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-9-phenylacridine.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-9-phenylacridine
PubChem CID146513299
Molecular FormulaC54H38N4S
Molecular Weight774.99 g/mol
Exact Mass774.28
IUPAC Name9-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-9-phenylacridine
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C)c1N1c2ccccc2C(c2ccccc2)(c2ccc3sc4ccccc4c3c2)c2ccccc21
InChIInChI=1S/C54H38N4S/c1-35-32-39(53-56-51(37-18-6-3-7-19-37)55-52(57-53)38-20-8-4-9-21-38)33-36(2)50(35)58-46-27-15-13-25-44(46)54(40-22-10-5-11-23-40,45-26-14-16-28-47(45)58)41-30-31-49-43(34-41)42-24-12-17-29-48(42)59-49/h3-34H,1-2H3
InChIKeyNNLUEPFRSLLHGU-UHFFFAOYSA-N
XLogP14.02
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.99
LogP ≤ 514.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581823
2-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157398141
2,4-diphenyl-6-[5-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162487268
2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146581626
2-dibenzothiophen-2-yl-4-(9,9-diphenylthioxanthen-3-yl)-6-phenyl-1,3,5-triazine
CID 146398203
2-[8-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 146581921
2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine
CID 71003881
4-dibenzothiophen-2-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603110
2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162487380
2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162487458
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 148941843
4-dibenzothiophen-2-yl-2-phenyl-6-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171602945

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-9-phenylacridine?
The IUPAC name of 9-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-9-phenylacridine (CID 146513299) is 9-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-9-phenylacridine.
What is the SMILES notation for 9-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-9-phenylacridine?
The canonical SMILES for 9-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-9-phenylacridine is Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C)c1N1c2ccccc2C(c2ccccc2)(c2ccc3sc4ccccc4c3c2)c2ccccc21.
What is the InChIKey of 9-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-9-phenylacridine?
The InChIKey is NNLUEPFRSLLHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N4S/c1-35-32-39(53-56-51(37-18-6-3-7-19-37)55-52(57-53)38-20-8-4-9-21-38)33-36(2)50(35)58-46-27-15-13-25-44(46)54(40-22-10-5-11-23-40,45-26-14-16-28-47(45)58)41-30-31-49-43(34-41)42-24-12-17-29-48(42)59-49/h3-34H,1-2H3.
What are the key properties of 9-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-9-phenylacridine?
9-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-9-phenylacridine has a molecular weight of 774.99 g/mol, XLogP of 14.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-9-phenylacridine is sourced from PubChem (CID 146513299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).