2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine

C51H31N3OS — CID 139549262

IUPAC2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3oc4cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7cccc8c7sc7c(-c9ccccc9)cccc78)c6)n5)c4c3c2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-14-32(15-5-1)35-28-29-44-43(31-35)46-42(26-13-27-45(46)55-44)51-53-49(34-18-8-3-9-19-34)52-50(54-51)37-21-10-20-36(30-37)39-23-12-25-41-40-24-11-22-38(47(40)56-48(39)41)33-16-6-2-7-17-33/h1-31H
InChIKeyFNMNJVSHUOONFR-UHFFFAOYSA-N
MW733.90 g/mol
LogP14.14
Rot. Bonds6

About 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine

2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine (PubChem CID 139549262) has the molecular formula C51H31N3OS and a molecular weight of 733.90 g/mol. Its IUPAC name is 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
PubChem CID139549262
Molecular FormulaC51H31N3OS
Molecular Weight733.90 g/mol
Exact Mass733.22
IUPAC Name2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3oc4cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7cccc8c7sc7c(-c9ccccc9)cccc78)c6)n5)c4c3c2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-14-32(15-5-1)35-28-29-44-43(31-35)46-42(26-13-27-45(46)55-44)51-53-49(34-18-8-3-9-19-34)52-50(54-51)37-21-10-20-36(30-37)39-23-12-25-41-40-24-11-22-38(47(40)56-48(39)41)33-16-6-2-7-17-33/h1-31H
InChIKeyFNMNJVSHUOONFR-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-(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-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 139549065
2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946220
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
2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163478028
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763
2,4-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454
2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163972262
2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 161063143

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine (CID 139549262) is 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc3oc4cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7cccc8c7sc7c(-c9ccccc9)cccc78)c6)n5)c4c3c2)cc1.
What is the InChIKey of 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine?
The InChIKey is FNMNJVSHUOONFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-4-14-32(15-5-1)35-28-29-44-43(31-35)46-42(26-13-27-45(46)55-44)51-53-49(34-18-8-3-9-19-34)52-50(54-51)37-21-10-20-36(30-37)39-23-12-25-41-40-24-11-22-38(47(40)56-48(39)41)33-16-6-2-7-17-33/h1-31H.
What are the key properties of 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine?
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-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-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 139549262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).