2-dibenzofuran-4-yl-4-[7-(2-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine

C55H33N3O2 — CID 166741418

IUPAC2-dibenzofuran-4-yl-4-[7-(2-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccc(-c6c(-c7ccccc7)ccc7oc8ccccc8c67)cc5c4)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C55H33N3O2/c1-3-12-34(13-4-1)35-22-26-38(27-23-35)53-56-54(58-55(57-53)46-19-11-18-44-43-16-7-9-20-47(43)60-52(44)46)40-29-25-36-24-28-39(32-41(36)33-40)50-42(37-14-5-2-6-15-37)30-31-49-51(50)45-17-8-10-21-48(45)59-49/h1-33H
InChIKeyNBAKCBDPSNPYFG-UHFFFAOYSA-N
MW767.89 g/mol
LogP14.83
Rot. Bonds6

About 2-dibenzofuran-4-yl-4-[7-(2-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-4-yl-4-[7-(2-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 166741418) has the molecular formula C55H33N3O2 and a molecular weight of 767.89 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[7-(2-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[7-(2-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID166741418
Molecular FormulaC55H33N3O2
Molecular Weight767.89 g/mol
Exact Mass767.26
IUPAC Name2-dibenzofuran-4-yl-4-[7-(2-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccc(-c6c(-c7ccccc7)ccc7oc8ccccc8c67)cc5c4)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C55H33N3O2/c1-3-12-34(13-4-1)35-22-26-38(27-23-35)53-56-54(58-55(57-53)46-19-11-18-44-43-16-7-9-20-47(43)60-52(44)46)40-29-25-36-24-28-39(32-41(36)33-40)50-42(37-14-5-2-6-15-37)30-31-49-51(50)45-17-8-10-21-48(45)59-49/h1-33H
InChIKeyNBAKCBDPSNPYFG-UHFFFAOYSA-N
XLogP14.83
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.89
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-naphthalen-2-yl-4-phenyl-6-[1-(6-phenylnaphthalen-2-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 163653922
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-naphthalen-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742408
2-naphthalen-2-yl-4-(1-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176616808
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845157
2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(3-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139441843
2-dibenzofuran-4-yl-4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155077824
2-dibenzofuran-4-yl-4-phenyl-6-[4-[2-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442228
2-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078181
2-(4-dibenzofuran-4-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164821795

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[7-(2-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-[7-(2-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 166741418) is 2-dibenzofuran-4-yl-4-[7-(2-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[7-(2-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[7-(2-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5ccc(-c6c(-c7ccccc7)ccc7oc8ccccc8c67)cc5c4)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[7-(2-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is NBAKCBDPSNPYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O2/c1-3-12-34(13-4-1)35-22-26-38(27-23-35)53-56-54(58-55(57-53)46-19-11-18-44-43-16-7-9-20-47(43)60-52(44)46)40-29-25-36-24-28-39(32-41(36)33-40)50-42(37-14-5-2-6-15-37)30-31-49-51(50)45-17-8-10-21-48(45)59-49/h1-33H.
What are the key properties of 2-dibenzofuran-4-yl-4-[7-(2-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-[7-(2-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 767.89 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-[7-(2-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 166741418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).