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

C39H25N3S2 — CID 142615088

IUPAC2-[4-(2,3-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=c2c(sc3ccccc23)=C(c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c2sc2ccccc23)CC1
InChIInChI=1S/C39H25N3S2/c1-3-12-24(13-4-1)37-40-38(25-14-5-2-6-15-25)42-39(41-37)26-22-31-28-17-8-10-21-34(28)44-36(31)32(23-26)30-19-11-18-29-27-16-7-9-20-33(27)43-35(29)30/h1-10,12-18,20-23H,11,19H2
InChIKeyADCJQPGCAOXGMN-UHFFFAOYSA-N
MW599.78 g/mol
LogP9.23
Rot. Bonds4

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

2-[4-(2,3-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 142615088) has the molecular formula C39H25N3S2 and a molecular weight of 599.78 g/mol. Its IUPAC name is 2-[4-(2,3-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(2,3-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID142615088
Molecular FormulaC39H25N3S2
Molecular Weight599.78 g/mol
Exact Mass599.15
IUPAC Name2-[4-(2,3-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=c2c(sc3ccccc23)=C(c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c2sc2ccccc23)CC1
InChIInChI=1S/C39H25N3S2/c1-3-12-24(13-4-1)37-40-38(25-14-5-2-6-15-25)42-39(41-37)26-22-31-28-17-8-10-21-34(28)44-36(31)32(23-26)30-19-11-18-29-27-16-7-9-20-33(27)43-35(29)30/h1-10,12-18,20-23H,11,19H2
InChIKeyADCJQPGCAOXGMN-UHFFFAOYSA-N
XLogP9.23
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.78
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952783
2-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]-4,6-diphenylpyrimidine
CID 149123811
2,4-diphenyl-6-[3-phenyl-5-(4-phenyldibenzothiophen-2-yl)phenyl]pyrimidine
CID 171583486
2-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 164737126
2,4-diphenyl-6-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199172
2-[4-(6-dibenzothiophen-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377434
2-phenyl-4-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200101
3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 154938927
2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953027
2-(8-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952729
2-(4-dibenzothiophen-4-yl-3-phenylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163619693
2-(3-dibenzothiophen-2-yl-5-dibenzothiophen-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402536

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(2,3-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine (CID 142615088) is 2-[4-(2,3-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(2,3-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(2,3-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine is C1=c2c(sc3ccccc23)=C(c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c2sc2ccccc23)CC1.
What is the InChIKey of 2-[4-(2,3-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is ADCJQPGCAOXGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3S2/c1-3-12-24(13-4-1)37-40-38(25-14-5-2-6-15-25)42-39(41-37)26-22-31-28-17-8-10-21-34(28)44-36(31)32(23-26)30-19-11-18-29-27-16-7-9-20-33(27)43-35(29)30/h1-10,12-18,20-23H,11,19H2.
What are the key properties of 2-[4-(2,3-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine?
2-[4-(2,3-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 599.78 g/mol, XLogP of 9.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 142615088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).