2-(6-dibenzofuran-1-yl-4-phenyldibenzothiophen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C51H31N3OS — CID 168721769

IUPAC2-(6-dibenzofuran-1-yl-4-phenyldibenzothiophen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)c5sc6c(-c7cccc8oc9ccccc9c78)cccc6c45)n3)c2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-15-32(16-5-1)35-21-12-22-36(31-35)50-52-49(34-19-8-3-9-20-34)53-51(54-50)42-30-29-37(33-17-6-2-7-18-33)48-46(42)41-26-13-25-39(47(41)56-48)38-24-14-28-44-45(38)40-23-10-11-27-43(40)55-44/h1-31H
InChIKeyOYEWWKPELJPLAG-UHFFFAOYSA-N
MW733.90 g/mol
LogP14.14
Rot. Bonds6

About 2-(6-dibenzofuran-1-yl-4-phenyldibenzothiophen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-(6-dibenzofuran-1-yl-4-phenyldibenzothiophen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 168721769) has the molecular formula C51H31N3OS and a molecular weight of 733.90 g/mol. Its IUPAC name is 2-(6-dibenzofuran-1-yl-4-phenyldibenzothiophen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-dibenzofuran-1-yl-4-phenyldibenzothiophen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID168721769
Molecular FormulaC51H31N3OS
Molecular Weight733.90 g/mol
Exact Mass733.22
IUPAC Name2-(6-dibenzofuran-1-yl-4-phenyldibenzothiophen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)c5sc6c(-c7cccc8oc9ccccc9c78)cccc6c45)n3)c2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-15-32(16-5-1)35-21-12-22-36(31-35)50-52-49(34-19-8-3-9-20-34)53-51(54-50)42-30-29-37(33-17-6-2-7-18-33)48-46(42)41-26-13-25-39(47(41)56-48)38-24-14-28-44-45(38)40-23-10-11-27-43(40)55-44/h1-31H
InChIKeyOYEWWKPELJPLAG-UHFFFAOYSA-N
XLogP14.14
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.90
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine
CID 154603841
2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzothiophen-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170207728
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 139549262
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-dibenzofuran-1-yl-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 177112627
2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 155329850
2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-[3-[3-[4-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[4-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 161174250
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244
2-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942372
2-dibenzofuran-1-yl-4-phenyl-6-(5-phenyl-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-14-yl)-1,3,5-triazine
CID 170268719
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102

Frequently Asked Questions

What is the IUPAC name of 2-(6-dibenzofuran-1-yl-4-phenyldibenzothiophen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(6-dibenzofuran-1-yl-4-phenyldibenzothiophen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 168721769) is 2-(6-dibenzofuran-1-yl-4-phenyldibenzothiophen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(6-dibenzofuran-1-yl-4-phenyldibenzothiophen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(6-dibenzofuran-1-yl-4-phenyldibenzothiophen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)c5sc6c(-c7cccc8oc9ccccc9c78)cccc6c45)n3)c2)cc1.
What is the InChIKey of 2-(6-dibenzofuran-1-yl-4-phenyldibenzothiophen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is OYEWWKPELJPLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-4-15-32(16-5-1)35-21-12-22-36(31-35)50-52-49(34-19-8-3-9-20-34)53-51(54-50)42-30-29-37(33-17-6-2-7-18-33)48-46(42)41-26-13-25-39(47(41)56-48)38-24-14-28-44-45(38)40-23-10-11-27-43(40)55-44/h1-31H.
What are the key properties of 2-(6-dibenzofuran-1-yl-4-phenyldibenzothiophen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-(6-dibenzofuran-1-yl-4-phenyldibenzothiophen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 733.90 g/mol, XLogP of 14.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-dibenzofuran-1-yl-4-phenyldibenzothiophen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 168721769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).