2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine

C45H27N3S2 — CID 156574591

IUPAC2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)c3sc4c(-c5ccccc5)cccc4c3c2)cc1
InChIInChI=1S/C45H27N3S2/c1-4-13-28(14-5-1)32-25-37-36-21-12-20-33(29-15-6-2-7-16-29)41(36)50-42(37)38(26-32)45-47-43(30-17-8-3-9-18-30)46-44(48-45)31-23-24-35-34-19-10-11-22-39(34)49-40(35)27-31/h1-27H
InChIKeyHXUINURFUQNKEB-UHFFFAOYSA-N
MW673.87 g/mol
LogP12.94
Rot. Bonds5

About 2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine

2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine (PubChem CID 156574591) has the molecular formula C45H27N3S2 and a molecular weight of 673.87 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine
PubChem CID156574591
Molecular FormulaC45H27N3S2
Molecular Weight673.87 g/mol
Exact Mass673.16
IUPAC Name2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)c3sc4c(-c5ccccc5)cccc4c3c2)cc1
InChIInChI=1S/C45H27N3S2/c1-4-13-28(14-5-1)32-25-37-36-21-12-20-33(29-15-6-2-7-16-29)41(36)50-42(37)38(26-32)45-47-43(30-17-8-3-9-18-30)46-44(48-45)31-23-24-35-34-19-10-11-22-39(34)49-40(35)27-31/h1-27H
InChIKeyHXUINURFUQNKEB-UHFFFAOYSA-N
XLogP12.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.87
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-phenyl-4-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200101
2,4-diphenyl-6-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199172
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176831433
2-dibenzothiophen-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850235
2-phenyl-4-[7-(2-phenyldibenzothiophen-4-yl)dibenzothiophen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200225
2,4-diphenyl-6-[7-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 170199475
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 146669978
2-[2,6-bis(4-phenylphenyl)dibenzothiophen-4-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 156574620
2-[3-(2,6-diphenyldibenzothiophen-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 156574562
2-[3-(6,8-diphenyldibenzothiophen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164838378
2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170378405
2-[3-(8-dibenzothiophen-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377191

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine (CID 156574591) is 2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)c3sc4c(-c5ccccc5)cccc4c3c2)cc1.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is HXUINURFUQNKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3S2/c1-4-13-28(14-5-1)32-25-37-36-21-12-20-33(29-15-6-2-7-16-29)41(36)50-42(37)38(26-32)45-47-43(30-17-8-3-9-18-30)46-44(48-45)31-23-24-35-34-19-10-11-22-39(34)49-40(35)27-31/h1-27H.
What are the key properties of 2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 673.87 g/mol, XLogP of 12.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 156574591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).