3-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-pyridin-2-ylcarbazole

C50H31N5S — CID 118651048

IUPAC3-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-pyridin-2-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccn4)cc(-c4cccc5c4sc4ccccc45)c3)n2)cc1
InChIInChI=1S/C50H31N5S/c1-3-14-32(15-4-1)48-52-49(33-16-5-2-6-17-33)54-50(53-48)37-29-35(28-36(30-37)38-20-13-21-41-40-19-8-10-23-45(40)56-47(38)41)34-25-26-44-42(31-34)39-18-7-9-22-43(39)55(44)46-24-11-12-27-51-46/h1-31H
InChIKeyPFBGJCWBEGPPEK-UHFFFAOYSA-N
MW733.90 g/mol
LogP13.07
Rot. Bonds6

About 3-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-pyridin-2-ylcarbazole

3-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-pyridin-2-ylcarbazole (PubChem CID 118651048) has the molecular formula C50H31N5S and a molecular weight of 733.90 g/mol. Its IUPAC name is 3-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name3-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-pyridin-2-ylcarbazole
PubChem CID118651048
Molecular FormulaC50H31N5S
Molecular Weight733.90 g/mol
Exact Mass733.23
IUPAC Name3-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-pyridin-2-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccn4)cc(-c4cccc5c4sc4ccccc45)c3)n2)cc1
InChIInChI=1S/C50H31N5S/c1-3-14-32(15-4-1)48-52-49(33-16-5-2-6-17-33)54-50(53-48)37-29-35(28-36(30-37)38-20-13-21-41-40-19-8-10-23-45(40)56-47(38)41)34-25-26-44-42(31-34)39-18-7-9-22-43(39)55(44)46-24-11-12-27-51-46/h1-31H
InChIKeyPFBGJCWBEGPPEK-UHFFFAOYSA-N
XLogP13.07
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.90
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-dibenzothiophen-2-yl-5-dibenzothiophen-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402536
3-dibenzothiophen-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 165005678
3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158377536
2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene
CID 161177028
9-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole
CID 146179615
9-phenyl-3-[4-phenyl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 164736771
9-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-(3-dibenzothiophen-2-ylphenyl)carbazole;9-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-(3-dibenzothiophen-4-ylphenyl)carbazole;3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 158900274
3-dibenzothiophen-4-yl-9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 164957895
9-[4-[3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358100
9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
CID 155232875
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole
CID 154601885
9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole
CID 146414212

Frequently Asked Questions

What is the IUPAC name of 3-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-pyridin-2-ylcarbazole?
The IUPAC name of 3-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-pyridin-2-ylcarbazole (CID 118651048) is 3-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 3-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 3-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-pyridin-2-ylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccn4)cc(-c4cccc5c4sc4ccccc45)c3)n2)cc1.
What is the InChIKey of 3-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-pyridin-2-ylcarbazole?
The InChIKey is PFBGJCWBEGPPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5S/c1-3-14-32(15-4-1)48-52-49(33-16-5-2-6-17-33)54-50(53-48)37-29-35(28-36(30-37)38-20-13-21-41-40-19-8-10-23-45(40)56-47(38)41)34-25-26-44-42(31-34)39-18-7-9-22-43(39)55(44)46-24-11-12-27-51-46/h1-31H.
What are the key properties of 3-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-pyridin-2-ylcarbazole?
3-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-pyridin-2-ylcarbazole has a molecular weight of 733.90 g/mol, XLogP of 13.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 118651048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).