2-(6,9-diphenyldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine

C51H33N3O — CID 164838500

IUPAC2-(6,9-diphenyldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5c4oc4c(-c6ccccc6)ccc(-c6ccccc6)c45)n3)c2)cc1
InChIInChI=1S/C51H33N3O/c1-5-16-34(17-6-1)38-24-13-26-40(32-38)49-52-50(41-27-14-25-39(33-41)35-18-7-2-8-19-35)54-51(53-49)45-29-15-28-44-46-42(36-20-9-3-10-21-36)30-31-43(48(46)55-47(44)45)37-22-11-4-12-23-37/h1-33H
InChIKeyXVUAMQIVSCAUOD-UHFFFAOYSA-N
MW703.85 g/mol
LogP13.44
Rot. Bonds7

About 2-(6,9-diphenyldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine

2-(6,9-diphenyldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine (PubChem CID 164838500) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 2-(6,9-diphenyldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(6,9-diphenyldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
PubChem CID164838500
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name2-(6,9-diphenyldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5c4oc4c(-c6ccccc6)ccc(-c6ccccc6)c45)n3)c2)cc1
InChIInChI=1S/C51H33N3O/c1-5-16-34(17-6-1)38-24-13-26-40(32-38)49-52-50(41-27-14-25-39(33-41)35-18-7-2-8-19-35)54-51(53-49)45-29-15-28-44-46-42(36-20-9-3-10-21-36)30-31-43(48(46)55-47(44)45)37-22-11-4-12-23-37/h1-33H
InChIKeyXVUAMQIVSCAUOD-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-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 164838475
2,4-diphenyl-6-[3-phenyl-5-[6-(4-phenylphenyl)-1-[3-[4-phenyl-6-[4-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 163937678
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-[3-(4-naphthalen-1-yl-6-phenyldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168721799
2-(4-phenylnaphthalen-1-yl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808482
2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 139549183
2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-5-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118650966
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[6-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808483
2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 154613908
2-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078181
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 164797297

Frequently Asked Questions

What is the IUPAC name of 2-(6,9-diphenyldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(6,9-diphenyldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine (CID 164838500) is 2-(6,9-diphenyldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(6,9-diphenyldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(6,9-diphenyldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5c4oc4c(-c6ccccc6)ccc(-c6ccccc6)c45)n3)c2)cc1.
What is the InChIKey of 2-(6,9-diphenyldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is XVUAMQIVSCAUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-5-16-34(17-6-1)38-24-13-26-40(32-38)49-52-50(41-27-14-25-39(33-41)35-18-7-2-8-19-35)54-51(53-49)45-29-15-28-44-46-42(36-20-9-3-10-21-36)30-31-43(48(46)55-47(44)45)37-22-11-4-12-23-37/h1-33H.
What are the key properties of 2-(6,9-diphenyldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
2-(6,9-diphenyldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-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-(6,9-diphenyldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164838500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).