2-dibenzofuran-3-yl-4-[3-(8-phenyl-9H-fluoren-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine

C56H35N3O — CID 139549223

IUPAC2-dibenzofuran-3-yl-4-[3-(8-phenyl-9H-fluoren-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cc(-c5cccc6c5Cc5c(-c7ccccc7)cccc5-6)cc5ccccc45)n3)cc2)cc1
InChIInChI=1S/C56H35N3O/c1-3-13-35(14-4-1)36-25-27-38(28-26-36)54-57-55(40-29-30-48-47-19-9-10-24-52(47)60-53(48)33-40)59-56(58-54)51-32-41(31-39-17-7-8-18-43(39)51)44-21-12-23-46-45-22-11-20-42(49(45)34-50(44)46)37-15-5-2-6-16-37/h1-33H,34H2
InChIKeyCDIBKLBRQMABAN-UHFFFAOYSA-N
MW765.92 g/mol
LogP14.50
Rot. Bonds6

About 2-dibenzofuran-3-yl-4-[3-(8-phenyl-9H-fluoren-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-[3-(8-phenyl-9H-fluoren-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 139549223) has the molecular formula C56H35N3O and a molecular weight of 765.92 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[3-(8-phenyl-9H-fluoren-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-[3-(8-phenyl-9H-fluoren-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID139549223
Molecular FormulaC56H35N3O
Molecular Weight765.92 g/mol
Exact Mass765.28
IUPAC Name2-dibenzofuran-3-yl-4-[3-(8-phenyl-9H-fluoren-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cc(-c5cccc6c5Cc5c(-c7ccccc7)cccc5-6)cc5ccccc45)n3)cc2)cc1
InChIInChI=1S/C56H35N3O/c1-3-13-35(14-4-1)36-25-27-38(28-26-36)54-57-55(40-29-30-48-47-19-9-10-24-52(47)60-53(48)33-40)59-56(58-54)51-32-41(31-39-17-7-8-18-43(39)51)44-21-12-23-46-45-22-11-20-42(49(45)34-50(44)46)37-15-5-2-6-16-37/h1-33H,34H2
InChIKeyCDIBKLBRQMABAN-UHFFFAOYSA-N
XLogP14.50
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.92
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163496167
2-dibenzofuran-3-yl-4-[3-(3-phenylnaphthalen-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 171730931
2-naphthalen-1-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 171597325
2-(4-dibenzofuran-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251319
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171607685
2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743379
2-(9-phenyldibenzofuran-3-yl)-4-(6-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797611
2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 165097425
2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797601
2-dibenzofuran-4-yl-4-[4-(4-phenylnaphthalen-2-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 155763992
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[3-(8-phenyl-9H-fluoren-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-[3-(8-phenyl-9H-fluoren-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 139549223) is 2-dibenzofuran-3-yl-4-[3-(8-phenyl-9H-fluoren-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-[3-(8-phenyl-9H-fluoren-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-[3-(8-phenyl-9H-fluoren-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cc(-c5cccc6c5Cc5c(-c7ccccc7)cccc5-6)cc5ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-[3-(8-phenyl-9H-fluoren-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is CDIBKLBRQMABAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3O/c1-3-13-35(14-4-1)36-25-27-38(28-26-36)54-57-55(40-29-30-48-47-19-9-10-24-52(47)60-53(48)33-40)59-56(58-54)51-32-41(31-39-17-7-8-18-43(39)51)44-21-12-23-46-45-22-11-20-42(49(45)34-50(44)46)37-15-5-2-6-16-37/h1-33H,34H2.
What are the key properties of 2-dibenzofuran-3-yl-4-[3-(8-phenyl-9H-fluoren-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-[3-(8-phenyl-9H-fluoren-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 765.92 g/mol, XLogP of 14.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-[3-(8-phenyl-9H-fluoren-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 139549223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).