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

C46H29N3S — CID 164821165

IUPAC2-dibenzothiophen-3-yl-4-phenyl-6-[9-(4-phenylphenyl)fluoren-9-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3(c4nc(-c5ccccc5)nc(-c5ccc6c(c5)sc5ccccc56)n4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C46H29N3S/c1-3-13-30(14-4-1)31-23-26-34(27-24-31)46(39-20-10-7-17-35(39)36-18-8-11-21-40(36)46)45-48-43(32-15-5-2-6-16-32)47-44(49-45)33-25-28-38-37-19-9-12-22-41(37)50-42(38)29-33/h1-29H
InChIKeyLIZOAZVFNQFJFP-UHFFFAOYSA-N
MW655.83 g/mol
LogP11.60
Rot. Bonds5

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

2-dibenzothiophen-3-yl-4-phenyl-6-[9-(4-phenylphenyl)fluoren-9-yl]-1,3,5-triazine (PubChem CID 164821165) has the molecular formula C46H29N3S and a molecular weight of 655.83 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-phenyl-6-[9-(4-phenylphenyl)fluoren-9-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-phenyl-6-[9-(4-phenylphenyl)fluoren-9-yl]-1,3,5-triazine
PubChem CID164821165
Molecular FormulaC46H29N3S
Molecular Weight655.83 g/mol
Exact Mass655.21
IUPAC Name2-dibenzothiophen-3-yl-4-phenyl-6-[9-(4-phenylphenyl)fluoren-9-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3(c4nc(-c5ccccc5)nc(-c5ccc6c(c5)sc5ccccc56)n4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C46H29N3S/c1-3-13-30(14-4-1)31-23-26-34(27-24-31)46(39-20-10-7-17-35(39)36-18-8-11-21-40(36)46)45-48-43(32-15-5-2-6-16-32)47-44(49-45)33-25-28-38-37-19-9-12-22-41(37)50-42(38)29-33/h1-29H
InChIKeyLIZOAZVFNQFJFP-UHFFFAOYSA-N
XLogP11.60
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.83
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzothiophen-3-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821280
2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146581626
2-chloro-4-dibenzothiophen-3-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 170305782
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-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581823
4-dibenzothiophen-3-yl-6-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602085
2-dibenzothiophen-3-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine
CID 164821273
2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162487380
4-(4-dibenzothiophen-3-ylphenyl)-2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidine
CID 171603562
2-[7-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192093
2-dibenzothiophen-3-yl-4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazine
CID 153357881
2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821282

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-4-phenyl-6-[9-(4-phenylphenyl)fluoren-9-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-phenyl-6-[9-(4-phenylphenyl)fluoren-9-yl]-1,3,5-triazine (CID 164821165) is 2-dibenzothiophen-3-yl-4-phenyl-6-[9-(4-phenylphenyl)fluoren-9-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-phenyl-6-[9-(4-phenylphenyl)fluoren-9-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-phenyl-6-[9-(4-phenylphenyl)fluoren-9-yl]-1,3,5-triazine is c1ccc(-c2ccc(C3(c4nc(-c5ccccc5)nc(-c5ccc6c(c5)sc5ccccc56)n4)c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-phenyl-6-[9-(4-phenylphenyl)fluoren-9-yl]-1,3,5-triazine?
The InChIKey is LIZOAZVFNQFJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3S/c1-3-13-30(14-4-1)31-23-26-34(27-24-31)46(39-20-10-7-17-35(39)36-18-8-11-21-40(36)46)45-48-43(32-15-5-2-6-16-32)47-44(49-45)33-25-28-38-37-19-9-12-22-41(37)50-42(38)29-33/h1-29H.
What are the key properties of 2-dibenzothiophen-3-yl-4-phenyl-6-[9-(4-phenylphenyl)fluoren-9-yl]-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-phenyl-6-[9-(4-phenylphenyl)fluoren-9-yl]-1,3,5-triazine has a molecular weight of 655.83 g/mol, XLogP of 11.60, 5 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-[9-(4-phenylphenyl)fluoren-9-yl]-1,3,5-triazine is sourced from PubChem (CID 164821165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).