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

C52H33N3O — CID 146581949

IUPAC2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(C5(c6ccc7oc8ccccc8c7c6)c6ccccc6-c6ccccc65)cc4)cc3)n2)cc1
InChIInChI=1S/C52H33N3O/c1-3-13-36(14-4-1)49-53-50(37-15-5-2-6-16-37)55-51(54-49)38-25-23-34(24-26-38)35-27-29-39(30-28-35)52(45-20-10-7-17-41(45)42-18-8-11-21-46(42)52)40-31-32-48-44(33-40)43-19-9-12-22-47(43)56-48/h1-33H
InChIKeyAJIHNFUPLBNVMS-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.80
Rot. Bonds6

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

2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 146581949) has the molecular formula C52H33N3O and a molecular weight of 715.86 g/mol. Its IUPAC name is 2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID146581949
Molecular FormulaC52H33N3O
Molecular Weight715.86 g/mol
Exact Mass715.26
IUPAC Name2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(C5(c6ccc7oc8ccccc8c7c6)c6ccccc6-c6ccccc65)cc4)cc3)n2)cc1
InChIInChI=1S/C52H33N3O/c1-3-13-36(14-4-1)49-53-50(37-15-5-2-6-16-37)55-51(54-49)38-25-23-34(24-26-38)35-27-29-39(30-28-35)52(45-20-10-7-17-41(45)42-18-8-11-21-46(42)52)40-31-32-48-44(33-40)43-19-9-12-22-47(43)56-48/h1-33H
InChIKeyAJIHNFUPLBNVMS-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-[3-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160588637
2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146581682
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-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 162487492
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-[8-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 146581921
2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146581933
2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 162487312
2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 162487345
2,4-diphenyl-6-[5-[8-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162487343
4-(4-dibenzofuran-2-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603028

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 146581949) is 2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(C5(c6ccc7oc8ccccc8c7c6)c6ccccc6-c6ccccc65)cc4)cc3)n2)cc1.
What is the InChIKey of 2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is AJIHNFUPLBNVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O/c1-3-13-36(14-4-1)49-53-50(37-15-5-2-6-16-37)55-51(54-49)38-25-23-34(24-26-38)35-27-29-39(30-28-35)52(45-20-10-7-17-41(45)42-18-8-11-21-46(42)52)40-31-32-48-44(33-40)43-19-9-12-22-47(43)56-48/h1-33H.
What are the key properties of 2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-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-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 146581949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).