4-dibenzothiophen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane

C49H34N4S — CID 142570066

IUPAC4-dibenzothiophen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
SMILESCC.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-n3c4cc5ccccc5cc4c4cccc(-c5ccc6sc7ccccc7c6c5)c43)n2)cc1
InChIInChI=1S/C47H28N4S.C2H6/c1-2-12-30(13-3-1)45-48-46(35-22-21-29-11-4-5-14-31(29)25-35)50-47(49-45)51-41-28-33-16-7-6-15-32(33)26-39(41)38-19-10-18-36(44(38)51)34-23-24-43-40(27-34)37-17-8-9-20-42(37)52-43;1-2/h1-28H;1-2H3
InChIKeyDCVYDJNWLUOAPD-UHFFFAOYSA-N
MW710.91 g/mol
LogP13.67
Rot. Bonds4

About 4-dibenzothiophen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane

4-dibenzothiophen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane (PubChem CID 142570066) has the molecular formula C49H34N4S and a molecular weight of 710.91 g/mol. Its IUPAC name is 4-dibenzothiophen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane.

Molecular Properties

Compound Name4-dibenzothiophen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
PubChem CID142570066
Molecular FormulaC49H34N4S
Molecular Weight710.91 g/mol
Exact Mass710.25
IUPAC Name4-dibenzothiophen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
SMILESCC.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-n3c4cc5ccccc5cc4c4cccc(-c5ccc6sc7ccccc7c6c5)c43)n2)cc1
InChIInChI=1S/C47H28N4S.C2H6/c1-2-12-30(13-3-1)45-48-46(35-22-21-29-11-4-5-14-31(29)25-35)50-47(49-45)51-41-28-33-16-7-6-15-32(33)26-39(41)38-19-10-18-36(44(38)51)34-23-24-43-40(27-34)37-17-8-9-20-42(37)52-43;1-2/h1-28H;1-2H3
InChIKeyDCVYDJNWLUOAPD-UHFFFAOYSA-N
XLogP13.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.91
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane
CID 142570568
8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole
CID 142572167
8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
CID 142569902
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diphenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-1-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 159121688
4-dibenzothiophen-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 142570761
12-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155449939
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166916090
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole
CID 142570234
2-(4-dibenzothiophen-3-ylnaphthalen-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(4-dibenzothiophen-3-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(5-dibenzothiophen-2-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 165010752
ethane;4-naphtho[2,1-b][1]benzofuran-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142570080
12-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155474747
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole
CID 142571631

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane?
The IUPAC name of 4-dibenzothiophen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane (CID 142570066) is 4-dibenzothiophen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane.
What is the SMILES notation for 4-dibenzothiophen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane?
The canonical SMILES for 4-dibenzothiophen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane is CC.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-n3c4cc5ccccc5cc4c4cccc(-c5ccc6sc7ccccc7c6c5)c43)n2)cc1.
What is the InChIKey of 4-dibenzothiophen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane?
The InChIKey is DCVYDJNWLUOAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4S.C2H6/c1-2-12-30(13-3-1)45-48-46(35-22-21-29-11-4-5-14-31(29)25-35)50-47(49-45)51-41-28-33-16-7-6-15-32(33)26-39(41)38-19-10-18-36(44(38)51)34-23-24-43-40(27-34)37-17-8-9-20-42(37)52-43;1-2/h1-28H;1-2H3.
What are the key properties of 4-dibenzothiophen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane?
4-dibenzothiophen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane has a molecular weight of 710.91 g/mol, XLogP of 13.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane is sourced from PubChem (CID 142570066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).