2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine

C52H33N3O — CID 162487345

IUPAC2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc4oc5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc5c4c3)n2)cc1
InChIInChI=1S/C52H33N3O/c1-4-16-34(17-5-1)49-53-50(35-18-6-2-7-19-35)55-51(54-49)43-25-11-10-22-39(43)36-28-31-47-44(32-36)42-30-29-38(33-48(42)56-47)52(37-20-8-3-9-21-37)45-26-14-12-23-40(45)41-24-13-15-27-46(41)52/h1-33H
InChIKeyFXLJBFKKDKLSHH-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.80
Rot. Bonds6

About 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine (PubChem CID 162487345) has the molecular formula C52H33N3O and a molecular weight of 715.86 g/mol. Its IUPAC name is 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
PubChem CID162487345
Molecular FormulaC52H33N3O
Molecular Weight715.86 g/mol
Exact Mass715.26
IUPAC Name2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc4oc5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc5c4c3)n2)cc1
InChIInChI=1S/C52H33N3O/c1-4-16-34(17-5-1)49-53-50(35-18-6-2-7-19-35)55-51(54-49)43-25-11-10-22-39(43)36-28-31-47-44(32-36)42-30-29-38(33-48(42)56-47)52(37-20-8-3-9-21-37)45-26-14-12-23-40(45)41-24-13-15-27-46(41)52/h1-33H
InChIKeyFXLJBFKKDKLSHH-UHFFFAOYSA-N
XLogP12.80
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 162487312
2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 162487492
2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 147385970
2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581949
2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146581933
2-phenyl-4-[8-(8-phenyldibenzofuran-3-yl)dibenzofuran-1-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 174361924
2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146581865
2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581940
2-dibenzofuran-2-yl-4-[2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 158099516
2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine
CID 163602172
2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine
CID 163788832
2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146581682

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine (CID 162487345) is 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc4oc5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc5c4c3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine?
The InChIKey is FXLJBFKKDKLSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O/c1-4-16-34(17-5-1)49-53-50(35-18-6-2-7-19-35)55-51(54-49)43-25-11-10-22-39(43)36-28-31-47-44(32-36)42-30-29-38(33-48(42)56-47)52(37-20-8-3-9-21-37)45-26-14-12-23-40(45)41-24-13-15-27-46(41)52/h1-33H.
What are the key properties of 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine has a molecular weight of 715.86 g/mol, XLogP of 12.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 162487345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).