2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine

C51H31N3OS — CID 170201845

IUPAC2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccc5c(c4)sc4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc45)c4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-14-32(15-5-1)35-20-12-21-36(30-35)38-28-29-39(47-46(38)42-22-10-11-25-44(42)55-47)37-26-27-40-41-23-13-24-43(48(41)56-45(40)31-37)51-53-49(33-16-6-2-7-17-33)52-50(54-51)34-18-8-3-9-19-34/h1-31H
InChIKeyDAYCAERHGKBSMN-UHFFFAOYSA-N
MW733.90 g/mol
LogP14.14
Rot. Bonds6

About 2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine

2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine (PubChem CID 170201845) has the molecular formula C51H31N3OS and a molecular weight of 733.90 g/mol. Its IUPAC name is 2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine
PubChem CID170201845
Molecular FormulaC51H31N3OS
Molecular Weight733.90 g/mol
Exact Mass733.22
IUPAC Name2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccc5c(c4)sc4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc45)c4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-14-32(15-5-1)35-20-12-21-36(30-35)38-28-29-39(47-46(38)42-22-10-11-25-44(42)55-47)37-26-27-40-41-23-13-24-43(48(41)56-45(40)31-37)51-53-49(33-16-6-2-7-17-33)52-50(54-51)34-18-8-3-9-19-34/h1-31H
InChIKeyDAYCAERHGKBSMN-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

Analyze 2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine
CID 155096844
2-[4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078930
2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078013
2-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978300
2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743560
2-[4-(4-dibenzothiophen-3-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 160600611
2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 155079372
2-dibenzothiophen-4-yl-4-phenyl-6-[3-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)phenyl]-1,3,5-triazine
CID 176853685
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
2-(6-dibenzofuran-1-yldibenzothiophen-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377443
2-phenyl-4-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 154978686
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 165062826

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine (CID 170201845) is 2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3ccc(-c4ccc5c(c4)sc4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc45)c4oc5ccccc5c34)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine?
The InChIKey is DAYCAERHGKBSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-4-14-32(15-5-1)35-20-12-21-36(30-35)38-28-29-39(47-46(38)42-22-10-11-25-44(42)55-47)37-26-27-40-41-23-13-24-43(48(41)56-45(40)31-37)51-53-49(33-16-6-2-7-17-33)52-50(54-51)34-18-8-3-9-19-34/h1-31H.
What are the key properties of 2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine?
2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-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 2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine is sourced from PubChem (CID 170201845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).