2-dibenzofuran-1-yl-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine

C52H31N3OS — CID 167349773

IUPAC2-dibenzofuran-1-yl-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5cccc6c5sc5ccccc56)nc(-c5cccc6oc7ccccc7c56)n4)cccc32)cc1
InChIInChI=1S/C52H31N3OS/c1-3-16-32(17-4-1)52(33-18-5-2-6-19-33)41-27-10-7-21-36(41)46-38(24-14-28-42(46)52)49-53-50(39-25-15-30-44-47(39)37-22-8-11-29-43(37)56-44)55-51(54-49)40-26-13-23-35-34-20-9-12-31-45(34)57-48(35)40/h1-31H
InChIKeyDLUAMSFENWBWJM-UHFFFAOYSA-N
MW745.91 g/mol
LogP13.50
Rot. Bonds5

About 2-dibenzofuran-1-yl-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine (PubChem CID 167349773) has the molecular formula C52H31N3OS and a molecular weight of 745.91 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
PubChem CID167349773
Molecular FormulaC52H31N3OS
Molecular Weight745.91 g/mol
Exact Mass745.22
IUPAC Name2-dibenzofuran-1-yl-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5cccc6c5sc5ccccc56)nc(-c5cccc6oc7ccccc7c56)n4)cccc32)cc1
InChIInChI=1S/C52H31N3OS/c1-3-16-32(17-4-1)52(33-18-5-2-6-19-33)41-27-10-7-21-36(41)46-38(24-14-28-42(46)52)49-53-50(39-25-15-30-44-47(39)37-22-8-11-29-43(37)56-44)55-51(54-49)40-26-13-23-35-34-20-9-12-31-45(34)57-48(35)40/h1-31H
InChIKeyDLUAMSFENWBWJM-UHFFFAOYSA-N
XLogP13.50
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.91
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-dibenzofuran-4-yl-5-phenylphenyl)-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(9,9-diphenylfluoren-4-yl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-1,3,5-triazine
CID 167681173
2,4-di(dibenzothiophen-4-yl)-6-(9,9-diphenylfluoren-4-yl)pyrimidine
CID 167349336
2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 166024873
2-dibenzothiophen-3-yl-4-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 166002399
9-[2-[4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167276198
2-dibenzothiophen-3-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166003111
2-dibenzothiophen-4-yl-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 163760786
2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002387
2-dibenzothiophen-1-yl-4-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369515
2-dibenzothiophen-4-yl-4-[2-(4-phenylphenyl)phenyl]-6-(7,9,9-triphenylfluoren-4-yl)-1,3,5-triazine
CID 167349621
2-(3-dibenzofuran-2-yl-5-phenylphenyl)-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 167673861
2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002837

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine (CID 167349773) is 2-dibenzofuran-1-yl-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5cccc6c5sc5ccccc56)nc(-c5cccc6oc7ccccc7c56)n4)cccc32)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine?
The InChIKey is DLUAMSFENWBWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3OS/c1-3-16-32(17-4-1)52(33-18-5-2-6-19-33)41-27-10-7-21-36(41)46-38(24-14-28-42(46)52)49-53-50(39-25-15-30-44-47(39)37-22-8-11-29-43(37)56-44)55-51(54-49)40-26-13-23-35-34-20-9-12-31-45(34)57-48(35)40/h1-31H.
What are the key properties of 2-dibenzofuran-1-yl-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine has a molecular weight of 745.91 g/mol, XLogP of 13.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine is sourced from PubChem (CID 167349773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).