2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrido[2,3-d]pyrimidine

C40H24N6S — CID 149383621

IUPAC2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrido[2,3-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cc(-c6nc(-c7ccccc7)c7cccnc7n6)ccc5c34)n2)cc1
InChIInChI=1S/C40H24N6S/c1-4-12-25(13-5-1)35-31-19-11-23-41-39(31)44-38(42-35)28-21-22-29-33(24-28)47-32-20-10-18-30(34(29)32)40-45-36(26-14-6-2-7-15-26)43-37(46-40)27-16-8-3-9-17-27/h1-24H
InChIKeyYMDDYRJRVZGWIT-UHFFFAOYSA-N
MW620.74 g/mol
LogP9.91
Rot. Bonds5

About 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrido[2,3-d]pyrimidine

2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrido[2,3-d]pyrimidine (PubChem CID 149383621) has the molecular formula C40H24N6S and a molecular weight of 620.74 g/mol. Its IUPAC name is 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrido[2,3-d]pyrimidine
PubChem CID149383621
Molecular FormulaC40H24N6S
Molecular Weight620.74 g/mol
Exact Mass620.18
IUPAC Name2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrido[2,3-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cc(-c6nc(-c7ccccc7)c7cccnc7n6)ccc5c34)n2)cc1
InChIInChI=1S/C40H24N6S/c1-4-12-25(13-5-1)35-31-19-11-23-41-39(31)44-38(42-35)28-21-22-29-33(24-28)47-32-20-10-18-30(34(29)32)40-45-36(26-14-6-2-7-15-26)43-37(46-40)27-16-8-3-9-17-27/h1-24H
InChIKeyYMDDYRJRVZGWIT-UHFFFAOYSA-N
XLogP9.91
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.74
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-diphenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 155050162
6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 166009881
2,4-diphenyl-6-(7-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 166952302
2-[9-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170193405
2-dibenzothiophen-1-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 139305007
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 164797737
2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139305041
2-(9-dibenzothiophen-1-yldibenzothiophen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155377527
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-phenylquinazoline
CID 149314451
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 164797872
2,4-di(dibenzothiophen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139304948
2-[7-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192093

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrido[2,3-d]pyrimidine?
The IUPAC name of 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrido[2,3-d]pyrimidine (CID 149383621) is 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrido[2,3-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cc(-c6nc(-c7ccccc7)c7cccnc7n6)ccc5c34)n2)cc1.
What is the InChIKey of 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrido[2,3-d]pyrimidine?
The InChIKey is YMDDYRJRVZGWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6S/c1-4-12-25(13-5-1)35-31-19-11-23-41-39(31)44-38(42-35)28-21-22-29-33(24-28)47-32-20-10-18-30(34(29)32)40-45-36(26-14-6-2-7-15-26)43-37(46-40)27-16-8-3-9-17-27/h1-24H.
What are the key properties of 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrido[2,3-d]pyrimidine?
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrido[2,3-d]pyrimidine has a molecular weight of 620.74 g/mol, XLogP of 9.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 149383621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).