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

C52H31N3O2 — CID 167349495

IUPAC2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)cccc32)cc1
InChIInChI=1S/C52H31N3O2/c1-3-15-33(16-4-1)52(34-17-5-2-6-18-34)42-25-10-7-21-39(42)47-40(23-14-26-43(47)52)50-53-49(32-29-30-37-35-19-8-11-27-44(35)56-46(37)31-32)54-51(55-50)41-24-13-22-38-36-20-9-12-28-45(36)57-48(38)41/h1-31H
InChIKeyZRRFSFUQEMFSOA-UHFFFAOYSA-N
MW729.84 g/mol
LogP13.03
Rot. Bonds5

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

2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine (PubChem CID 167349495) has the molecular formula C52H31N3O2 and a molecular weight of 729.84 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
PubChem CID167349495
Molecular FormulaC52H31N3O2
Molecular Weight729.84 g/mol
Exact Mass729.24
IUPAC Name2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)cccc32)cc1
InChIInChI=1S/C52H31N3O2/c1-3-15-33(16-4-1)52(34-17-5-2-6-18-34)42-25-10-7-21-39(42)47-40(23-14-26-43(47)52)50-53-49(32-29-30-37-35-19-8-11-27-44(35)56-46(37)31-32)54-51(55-50)41-24-13-22-38-36-20-9-12-28-45(36)57-48(38)41/h1-31H
InChIKeyZRRFSFUQEMFSOA-UHFFFAOYSA-N
XLogP13.03
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.84
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369192
2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 146246094
2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146649073
2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-4-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 126544530
2-dibenzofuran-1-yl-4-[8-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 146651227
2-dibenzofuran-3-yl-4-[3-(3-dimethylphosphorylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 146505830
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl-1,3,5-triazine
CID 153288093
2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 174361088
4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602182
2-dibenzofuran-4-yl-4-[3-(9,9-diphenylfluoren-2-yl)-5-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 164799713
2-[4-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491019
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002661

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine (CID 167349495) is 2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)cccc32)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine?
The InChIKey is ZRRFSFUQEMFSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3O2/c1-3-15-33(16-4-1)52(34-17-5-2-6-18-34)42-25-10-7-21-39(42)47-40(23-14-26-43(47)52)50-53-49(32-29-30-37-35-19-8-11-27-44(35)56-46(37)31-32)54-51(55-50)41-24-13-22-38-36-20-9-12-28-45(36)57-48(38)41/h1-31H.
What are the key properties of 2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine has a molecular weight of 729.84 g/mol, XLogP of 13.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine is sourced from PubChem (CID 167349495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).