2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C52H33N3S — CID 145377395

IUPAC2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccccc5-c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C52H33N3S/c1-3-14-35(15-4-1)49-53-50(36-16-5-2-6-17-36)55-51(54-49)37-28-32-39(33-29-37)52(45-23-10-7-18-41(45)42-19-8-11-24-46(42)52)38-30-26-34(27-31-38)40-21-13-22-44-43-20-9-12-25-47(43)56-48(40)44/h1-33H
InChIKeyRYWVFLMTCQZUEN-UHFFFAOYSA-N
MW731.92 g/mol
LogP13.27
Rot. Bonds6

About 2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 145377395) has the molecular formula C52H33N3S and a molecular weight of 731.92 g/mol. Its IUPAC name is 2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID145377395
Molecular FormulaC52H33N3S
Molecular Weight731.92 g/mol
Exact Mass731.24
IUPAC Name2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccccc5-c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C52H33N3S/c1-3-14-35(15-4-1)49-53-50(36-16-5-2-6-17-36)55-51(54-49)37-28-32-39(33-29-37)52(45-23-10-7-18-41(45)42-19-8-11-24-46(42)52)38-30-26-34(27-31-38)40-21-13-22-44-43-20-9-12-25-47(43)56-48(40)44/h1-33H
InChIKeyRYWVFLMTCQZUEN-UHFFFAOYSA-N
XLogP13.27
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.92
LogP ≤ 513.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene
CID 66686478
4-(2-dibenzothiophen-4-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171602824
2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 166024803
2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166024839
2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821282
2-(3-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166024913
2-dibenzothiophen-4-yl-4-(9,9-diphenylfluoren-2-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 146669934
2-(3-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166024815
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603171
2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 166024922
2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 167638600
4-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603309

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 145377395) is 2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccccc5-c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is RYWVFLMTCQZUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3S/c1-3-14-35(15-4-1)49-53-50(36-16-5-2-6-17-36)55-51(54-49)37-28-32-39(33-29-37)52(45-23-10-7-18-41(45)42-19-8-11-24-46(42)52)38-30-26-34(27-31-38)40-21-13-22-44-43-20-9-12-25-47(43)56-48(40)44/h1-33H.
What are the key properties of 2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 731.92 g/mol, XLogP of 13.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 145377395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).