2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine

C51H31N3O2 — CID 170193016

IUPAC2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccccc5-c5ccc6c(c5)oc5cccc(-c7ccccc7)c56)cc34)n2)cc1
InChIInChI=1S/C51H31N3O2/c1-4-13-32(14-5-1)40-21-12-22-45-48(40)42-27-23-36(30-47(42)56-45)39-20-11-10-19-38(39)35-25-28-44-43(29-35)41-26-24-37(31-46(41)55-44)51-53-49(33-15-6-2-7-16-33)52-50(54-51)34-17-8-3-9-18-34/h1-31H
InChIKeyMKSDRUYPEOOMRU-UHFFFAOYSA-N
MW717.83 g/mol
LogP13.67
Rot. Bonds6

About 2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine

2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine (PubChem CID 170193016) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
PubChem CID170193016
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC Name2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccccc5-c5ccc6c(c5)oc5cccc(-c7ccccc7)c56)cc34)n2)cc1
InChIInChI=1S/C51H31N3O2/c1-4-13-32(14-5-1)40-21-12-22-45-48(40)42-27-23-36(30-47(42)56-45)39-20-11-10-19-38(39)35-25-28-44-43(29-35)41-26-24-37(31-46(41)55-44)51-53-49(33-15-6-2-7-16-33)52-50(54-51)34-17-8-3-9-18-34/h1-31H
InChIKeyMKSDRUYPEOOMRU-UHFFFAOYSA-N
XLogP13.67
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 157361535
2-[8-(3-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597252
2-dibenzofuran-2-yl-4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742830
2-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192124
2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146937839
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304573
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372
2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156522936
2-phenyl-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797315
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798189
2-(3-dibenzofuran-1-ylphenyl)-4-(3-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304365
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine
CID 157059283

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine (CID 170193016) is 2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccccc5-c5ccc6c(c5)oc5cccc(-c7ccccc7)c56)cc34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine?
The InChIKey is MKSDRUYPEOOMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-4-13-32(14-5-1)40-21-12-22-45-48(40)42-27-23-36(30-47(42)56-45)39-20-11-10-19-38(39)35-25-28-44-43(29-35)41-26-24-37(31-46(41)55-44)51-53-49(33-15-6-2-7-16-33)52-50(54-51)34-17-8-3-9-18-34/h1-31H.
What are the key properties of 2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine?
2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine has a molecular weight of 717.83 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine is sourced from PubChem (CID 170193016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).