8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole

C38H22N4SSe — CID 168740232

IUPAC8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
SMILESc1ccc(-c2nc(-c3ccc4ccc5nc(-c6ccccc6)[se]c5c4c3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C38H22N4SSe/c1-3-10-24(11-4-1)35-40-36(42-37(41-35)29-16-9-15-28-27-14-7-8-17-32(27)43-33(28)29)26-19-18-23-20-21-31-34(30(23)22-26)44-38(39-31)25-12-5-2-6-13-25/h1-22H
InChIKeyGKUPGRVXMQIKJY-UHFFFAOYSA-N
MW645.65 g/mol
LogP9.67
Rot. Bonds4

About 8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole

8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole (PubChem CID 168740232) has the molecular formula C38H22N4SSe and a molecular weight of 645.65 g/mol. Its IUPAC name is 8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole.

Molecular Properties

Compound Name8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
PubChem CID168740232
Molecular FormulaC38H22N4SSe
Molecular Weight645.65 g/mol
Exact Mass646.07
IUPAC Name8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
SMILESc1ccc(-c2nc(-c3ccc4ccc5nc(-c6ccccc6)[se]c5c4c3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C38H22N4SSe/c1-3-10-24(11-4-1)35-40-36(42-37(41-35)29-16-9-15-28-27-14-7-8-17-32(27)43-33(28)29)26-19-18-23-20-21-31-34(30(23)22-26)44-38(39-31)25-12-5-2-6-13-25/h1-22H
InChIKeyGKUPGRVXMQIKJY-UHFFFAOYSA-N
XLogP9.67
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.65
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 139442046
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952783
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176831433
2-dibenzothiophen-4-yl-4-[4-(7-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441660
2-dibenzothiophen-4-yl-4-(3-phenylphenyl)-6-[6-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 139442031
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 177112658
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441895
2-dibenzothiophen-4-yl-4-[3-(4-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 137393565
2-dibenzothiophen-4-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[g][1,3]benzoxazole
CID 138633567
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 146669978
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 147261190

Frequently Asked Questions

What is the IUPAC name of 8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole?
The IUPAC name of 8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole (CID 168740232) is 8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole.
What is the SMILES notation for 8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole?
The canonical SMILES for 8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole is c1ccc(-c2nc(-c3ccc4ccc5nc(-c6ccccc6)[se]c5c4c3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole?
The InChIKey is GKUPGRVXMQIKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4SSe/c1-3-10-24(11-4-1)35-40-36(42-37(41-35)29-16-9-15-28-27-14-7-8-17-32(27)43-33(28)29)26-19-18-23-20-21-31-34(30(23)22-26)44-38(39-31)25-12-5-2-6-13-25/h1-22H.
What are the key properties of 8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole?
8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole has a molecular weight of 645.65 g/mol, XLogP of 9.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole is sourced from PubChem (CID 168740232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).