2-[2-[3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine

C53H37N3O — CID 139549064

IUPAC2-[2-[3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESCc1ccccc1-c1cccc(-c2cccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-c7ccccc7)cccc6c45)n3)c2)c1C
InChIInChI=1S/C53H37N3O/c1-34-17-9-10-24-40(34)42-28-14-27-41(35(42)2)38-22-13-23-39(33-38)43-25-11-12-26-45(43)52-54-51(37-20-7-4-8-21-37)55-53(56-52)47-31-16-32-48-49(47)46-30-15-29-44(50(46)57-48)36-18-5-3-6-19-36/h3-33H,1-2H3
InChIKeyTUINUCMYCKAAEM-UHFFFAOYSA-N
MW731.90 g/mol
LogP14.06
Rot. Bonds7

About 2-[2-[3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine

2-[2-[3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 139549064) has the molecular formula C53H37N3O and a molecular weight of 731.90 g/mol. Its IUPAC name is 2-[2-[3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-[3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
PubChem CID139549064
Molecular FormulaC53H37N3O
Molecular Weight731.90 g/mol
Exact Mass731.29
IUPAC Name2-[2-[3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESCc1ccccc1-c1cccc(-c2cccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-c7ccccc7)cccc6c45)n3)c2)c1C
InChIInChI=1S/C53H37N3O/c1-34-17-9-10-24-40(34)42-28-14-27-41(35(42)2)38-22-13-23-39(33-38)43-25-11-12-26-45(43)52-54-51(37-20-7-4-8-21-37)55-53(56-52)47-31-16-32-48-49(47)46-30-15-29-44(50(46)57-48)36-18-5-3-6-19-36/h3-33H,1-2H3
InChIKeyTUINUCMYCKAAEM-UHFFFAOYSA-N
XLogP14.06
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.90
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808582
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808572
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[6-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808483
2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808319
2-(4-phenylnaphthalen-1-yl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808482
2-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153263520
2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(2-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808494
2-phenyl-4-(4-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155477197
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808398
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808588
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[2-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-[3-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 158497651
2-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 146660856

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-[2-[3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine (CID 139549064) is 2-[2-[3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-[2-[3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-[2-[3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine is Cc1ccccc1-c1cccc(-c2cccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-c7ccccc7)cccc6c45)n3)c2)c1C.
What is the InChIKey of 2-[2-[3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is TUINUCMYCKAAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N3O/c1-34-17-9-10-24-40(34)42-28-14-27-41(35(42)2)38-22-13-23-39(33-38)43-25-11-12-26-45(43)52-54-51(37-20-7-4-8-21-37)55-53(56-52)47-31-16-32-48-49(47)46-30-15-29-44(50(46)57-48)36-18-5-3-6-19-36/h3-33H,1-2H3.
What are the key properties of 2-[2-[3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine?
2-[2-[3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 731.90 g/mol, XLogP of 14.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 139549064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).