2-dibenzothiophen-3-yl-4-phenyl-6-[4-[1-[2-(4,9,9-trimethylfluoren-3-yl)phenyl]butan-2-yl]phenyl]-1,3,5-triazine

C53H43N3S — CID 166875172

IUPAC2-dibenzothiophen-3-yl-4-phenyl-6-[4-[1-[2-(4,9,9-trimethylfluoren-3-yl)phenyl]butan-2-yl]phenyl]-1,3,5-triazine
SMILESCCC(Cc1ccccc1-c1ccc2c(c1C)-c1ccccc1C2(C)C)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C53H43N3S/c1-5-34(31-38-17-9-10-18-41(38)40-29-30-46-49(33(40)2)44-20-11-13-21-45(44)53(46,3)4)35-23-25-37(26-24-35)51-54-50(36-15-7-6-8-16-36)55-52(56-51)39-27-28-43-42-19-12-14-22-47(42)57-48(43)32-39/h6-30,32,34H,5,31H2,1-4H3
InChIKeyMTNZAKWBFRWEDY-UHFFFAOYSA-N
MW754.02 g/mol
LogP14.26
Rot. Bonds8

About 2-dibenzothiophen-3-yl-4-phenyl-6-[4-[1-[2-(4,9,9-trimethylfluoren-3-yl)phenyl]butan-2-yl]phenyl]-1,3,5-triazine

2-dibenzothiophen-3-yl-4-phenyl-6-[4-[1-[2-(4,9,9-trimethylfluoren-3-yl)phenyl]butan-2-yl]phenyl]-1,3,5-triazine (PubChem CID 166875172) has the molecular formula C53H43N3S and a molecular weight of 754.02 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-phenyl-6-[4-[1-[2-(4,9,9-trimethylfluoren-3-yl)phenyl]butan-2-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-phenyl-6-[4-[1-[2-(4,9,9-trimethylfluoren-3-yl)phenyl]butan-2-yl]phenyl]-1,3,5-triazine
PubChem CID166875172
Molecular FormulaC53H43N3S
Molecular Weight754.02 g/mol
Exact Mass753.32
IUPAC Name2-dibenzothiophen-3-yl-4-phenyl-6-[4-[1-[2-(4,9,9-trimethylfluoren-3-yl)phenyl]butan-2-yl]phenyl]-1,3,5-triazine
SMILESCCC(Cc1ccccc1-c1ccc2c(c1C)-c1ccccc1C2(C)C)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C53H43N3S/c1-5-34(31-38-17-9-10-18-41(38)40-29-30-46-49(33(40)2)44-20-11-13-21-45(44)53(46,3)4)35-23-25-37(26-24-35)51-54-50(36-15-7-6-8-16-36)55-52(56-51)39-27-28-43-42-19-12-14-22-47(42)57-48(43)32-39/h6-30,32,34H,5,31H2,1-4H3
InChIKeyMTNZAKWBFRWEDY-UHFFFAOYSA-N
XLogP14.26
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.02
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-dibenzothiophen-3-yl-6-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168777142
2-dibenzothiophen-3-yl-4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166995664
2-dibenzothiophen-3-yl-4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575083
2-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 154624618
3-[2-[2-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)cyclohexa-1,3-dien-1-yl]butyl]phenyl]-4-methyl-9-phenylcarbazole
CID 162363337
[4-[4-dibenzothiophen-3-yl-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
CID 177088299
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidine
CID 171583556
2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 176587952
2-[7-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192093
2-dibenzothiophen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 164955219
2-dibenzofuran-2-yl-4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 165059295
2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166995808

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-4-phenyl-6-[4-[1-[2-(4,9,9-trimethylfluoren-3-yl)phenyl]butan-2-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-phenyl-6-[4-[1-[2-(4,9,9-trimethylfluoren-3-yl)phenyl]butan-2-yl]phenyl]-1,3,5-triazine (CID 166875172) is 2-dibenzothiophen-3-yl-4-phenyl-6-[4-[1-[2-(4,9,9-trimethylfluoren-3-yl)phenyl]butan-2-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-phenyl-6-[4-[1-[2-(4,9,9-trimethylfluoren-3-yl)phenyl]butan-2-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-phenyl-6-[4-[1-[2-(4,9,9-trimethylfluoren-3-yl)phenyl]butan-2-yl]phenyl]-1,3,5-triazine is CCC(Cc1ccccc1-c1ccc2c(c1C)-c1ccccc1C2(C)C)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-phenyl-6-[4-[1-[2-(4,9,9-trimethylfluoren-3-yl)phenyl]butan-2-yl]phenyl]-1,3,5-triazine?
The InChIKey is MTNZAKWBFRWEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43N3S/c1-5-34(31-38-17-9-10-18-41(38)40-29-30-46-49(33(40)2)44-20-11-13-21-45(44)53(46,3)4)35-23-25-37(26-24-35)51-54-50(36-15-7-6-8-16-36)55-52(56-51)39-27-28-43-42-19-12-14-22-47(42)57-48(43)32-39/h6-30,32,34H,5,31H2,1-4H3.
What are the key properties of 2-dibenzothiophen-3-yl-4-phenyl-6-[4-[1-[2-(4,9,9-trimethylfluoren-3-yl)phenyl]butan-2-yl]phenyl]-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-phenyl-6-[4-[1-[2-(4,9,9-trimethylfluoren-3-yl)phenyl]butan-2-yl]phenyl]-1,3,5-triazine has a molecular weight of 754.02 g/mol, XLogP of 14.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-3-yl-4-phenyl-6-[4-[1-[2-(4,9,9-trimethylfluoren-3-yl)phenyl]butan-2-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 166875172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).