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

C51H31N3OS — CID 170201278

IUPAC2-phenyl-4-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6c(-c7cc(-c8ccccc8)cc8c7oc7ccccc78)cccc6c45)n3)c2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-15-32(16-5-1)35-21-12-22-36(29-35)50-52-49(34-19-8-3-9-20-34)53-51(54-50)41-26-14-28-45-46(41)40-25-13-24-39(48(40)56-45)43-31-37(33-17-6-2-7-18-33)30-42-38-23-10-11-27-44(38)55-47(42)43/h1-31H
InChIKeyUYVNUJAOFZTDHM-UHFFFAOYSA-N
MW733.90 g/mol
LogP14.14
Rot. Bonds6

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

2-phenyl-4-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 170201278) has the molecular formula C51H31N3OS and a molecular weight of 733.90 g/mol. Its IUPAC name is 2-phenyl-4-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID170201278
Molecular FormulaC51H31N3OS
Molecular Weight733.90 g/mol
Exact Mass733.22
IUPAC Name2-phenyl-4-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6c(-c7cc(-c8ccccc8)cc8c7oc7ccccc78)cccc6c45)n3)c2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-15-32(16-5-1)35-21-12-22-36(29-35)50-52-49(34-19-8-3-9-20-34)53-51(54-50)41-26-14-28-45-46(41)40-25-13-24-39(48(40)56-45)43-31-37(33-17-6-2-7-18-33)30-42-38-23-10-11-27-44(38)55-47(42)43/h1-31H
InChIKeyUYVNUJAOFZTDHM-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-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170202632
2,4-diphenyl-6-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199155
2-dibenzofuran-2-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazine
CID 155050287
2-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 170342012
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 139548908
2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 153355157
2-dibenzofuran-4-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166952530
2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 155096846
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4,6-diphenyl-1,3,5-triazine
CID 144953430
2-dibenzofuran-4-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050381
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-(3-dibenzothiophen-4-yl-5-phenylphenyl)-4-phenyl-6-(8-phenyldibenzofuran-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;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[4-(9-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[4-[6-(2-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 157106976

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 170201278) is 2-phenyl-4-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6c(-c7cc(-c8ccccc8)cc8c7oc7ccccc78)cccc6c45)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is UYVNUJAOFZTDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-4-15-32(16-5-1)35-21-12-22-36(29-35)50-52-49(34-19-8-3-9-20-34)53-51(54-50)41-26-14-28-45-46(41)40-25-13-24-39(48(40)56-45)43-31-37(33-17-6-2-7-18-33)30-42-38-23-10-11-27-44(38)55-47(42)43/h1-31H.
What are the key properties of 2-phenyl-4-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
2-phenyl-4-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-1-yl]-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-phenyl-4-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170201278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).