2-(6,8-diphenyldibenzofuran-4-yl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine

C58H37N3O — CID 174361627

IUPAC2-(6,8-diphenyldibenzofuran-4-yl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5nc(-c6ccccc6)nc(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)n5)cccc4c3c2)cc1
InChIInChI=1S/C58H37N3O/c1-5-19-38(20-6-1)42-36-49(39-21-7-2-8-22-39)54-50(37-42)47-31-18-32-48(53(47)62-54)57-60-55(40-23-9-3-10-24-40)59-56(61-57)41-25-17-28-44(35-41)58(43-26-11-4-12-27-43)51-33-15-13-29-45(51)46-30-14-16-34-52(46)58/h1-37H
InChIKeyQDRWTQKEIVUALA-UHFFFAOYSA-N
MW791.95 g/mol
LogP14.47
Rot. Bonds7

About 2-(6,8-diphenyldibenzofuran-4-yl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine

2-(6,8-diphenyldibenzofuran-4-yl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine (PubChem CID 174361627) has the molecular formula C58H37N3O and a molecular weight of 791.95 g/mol. Its IUPAC name is 2-(6,8-diphenyldibenzofuran-4-yl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(6,8-diphenyldibenzofuran-4-yl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
PubChem CID174361627
Molecular FormulaC58H37N3O
Molecular Weight791.95 g/mol
Exact Mass791.29
IUPAC Name2-(6,8-diphenyldibenzofuran-4-yl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5nc(-c6ccccc6)nc(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)n5)cccc4c3c2)cc1
InChIInChI=1S/C58H37N3O/c1-5-19-38(20-6-1)42-36-49(39-21-7-2-8-22-39)54-50(37-42)47-31-18-32-48(53(47)62-54)57-60-55(40-23-9-3-10-24-40)59-56(61-57)41-25-17-28-44(35-41)58(43-26-11-4-12-27-43)51-33-15-13-29-45(51)46-30-14-16-34-52(46)58/h1-37H
InChIKeyQDRWTQKEIVUALA-UHFFFAOYSA-N
XLogP14.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.95
LogP ≤ 514.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[4-[8-(3-phenylphenyl)dibenzofuran-4-yl]naphthalen-1-yl]-1,3,5-triazine
CID 174361695
2,4-diphenyl-6-[4-[8-phenyl-6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 164838394
4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran
CID 66686164
2-dibenzofuran-4-yl-4-phenyl-6-[9-(3-phenylphenyl)fluoren-9-yl]-1,3,5-triazine
CID 164821314
2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 174361020
2-dibenzofuran-4-yl-4-[3-(9,9-diphenylfluoren-2-yl)-5-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 164799713
2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164838374
2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020
2,4-diphenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 130375016
2-dibenzofuran-4-yl-4-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 146367964
2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160204
4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran
CID 159547141

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-diphenyldibenzofuran-4-yl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(6,8-diphenyldibenzofuran-4-yl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine (CID 174361627) is 2-(6,8-diphenyldibenzofuran-4-yl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(6,8-diphenyldibenzofuran-4-yl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(6,8-diphenyldibenzofuran-4-yl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5nc(-c6ccccc6)nc(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)n5)cccc4c3c2)cc1.
What is the InChIKey of 2-(6,8-diphenyldibenzofuran-4-yl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
The InChIKey is QDRWTQKEIVUALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O/c1-5-19-38(20-6-1)42-36-49(39-21-7-2-8-22-39)54-50(37-42)47-31-18-32-48(53(47)62-54)57-60-55(40-23-9-3-10-24-40)59-56(61-57)41-25-17-28-44(35-41)58(43-26-11-4-12-27-43)51-33-15-13-29-45(51)46-30-14-16-34-52(46)58/h1-37H.
What are the key properties of 2-(6,8-diphenyldibenzofuran-4-yl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
2-(6,8-diphenyldibenzofuran-4-yl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine has a molecular weight of 791.95 g/mol, XLogP of 14.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-diphenyldibenzofuran-4-yl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 174361627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).