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

C51H33N3O — CID 164797297

IUPAC2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5c4oc4c(-c6ccc(-c7ccccc7)cc6)cccc45)n3)cc2)cc1
InChIInChI=1S/C51H33N3O/c1-4-12-34(13-5-1)37-22-28-40(29-23-37)43-18-10-19-44-45-20-11-21-46(48(45)55-47(43)44)51-53-49(41-30-24-38(25-31-41)35-14-6-2-7-15-35)52-50(54-51)42-32-26-39(27-33-42)36-16-8-3-9-17-36/h1-33H
InChIKeyHTLQSLHBBFCZHQ-UHFFFAOYSA-N
MW703.85 g/mol
LogP13.44
Rot. Bonds7

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

2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine (PubChem CID 164797297) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
PubChem CID164797297
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5c4oc4c(-c6ccc(-c7ccccc7)cc6)cccc45)n3)cc2)cc1
InChIInChI=1S/C51H33N3O/c1-4-12-34(13-5-1)37-22-28-40(29-23-37)43-18-10-19-44-45-20-11-21-46(48(45)55-47(43)44)51-53-49(41-30-24-38(25-31-41)35-14-6-2-7-15-35)52-50(54-51)42-32-26-39(27-33-42)36-16-8-3-9-17-36/h1-33H
InChIKeyHTLQSLHBBFCZHQ-UHFFFAOYSA-N
XLogP13.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817768
2,4-diphenyl-6-[6-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 171414948
2-phenyl-4-(3-phenylphenyl)-6-[4-[6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 177144922
2,4-diphenyl-6-[4-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 164834775
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176817618
2,4-diphenyl-6-[4-[8-phenyl-6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 164838394
2-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138505665
2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 139549183
2-[6-(2,6-diphenylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 163625706
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942421
2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-5-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118650966
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942555

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine (CID 164797297) is 2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5c4oc4c(-c6ccc(-c7ccccc7)cc6)cccc45)n3)cc2)cc1.
What is the InChIKey of 2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine?
The InChIKey is HTLQSLHBBFCZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-4-12-34(13-5-1)37-22-28-40(29-23-37)43-18-10-19-44-45-20-11-21-46(48(45)55-47(43)44)51-53-49(41-30-24-38(25-31-41)35-14-6-2-7-15-35)52-50(54-51)42-32-26-39(27-33-42)36-16-8-3-9-17-36/h1-33H.
What are the key properties of 2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine?
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine has a molecular weight of 703.85 g/mol, XLogP of 13.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine is sourced from PubChem (CID 164797297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).