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

C43H26N4S — CID 146621257

IUPAC5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4cc5ccccc5cc43)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C43H26N4S/c1-2-13-27(14-3-1)41-44-42(46-43(45-41)33-20-12-24-39-40(33)32-19-8-11-23-38(32)48-39)31-18-7-10-22-36(31)47-35-21-9-6-17-30(35)34-25-28-15-4-5-16-29(28)26-37(34)47/h1-26H
InChIKeyVWKHDNSFNLAXBL-UHFFFAOYSA-N
MW630.78 g/mol
LogP11.49
Rot. Bonds4

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

5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 146621257) has the molecular formula C43H26N4S and a molecular weight of 630.78 g/mol. Its IUPAC name is 5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
PubChem CID146621257
Molecular FormulaC43H26N4S
Molecular Weight630.78 g/mol
Exact Mass630.19
IUPAC Name5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4cc5ccccc5cc43)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C43H26N4S/c1-2-13-27(14-3-1)41-44-42(46-43(45-41)33-20-12-24-39-40(33)32-19-8-11-23-38(32)48-39)31-18-7-10-22-36(31)47-35-21-9-6-17-30(35)34-25-28-15-4-5-16-29(28)26-37(34)47/h1-26H
InChIKeyVWKHDNSFNLAXBL-UHFFFAOYSA-N
XLogP11.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.78
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166916961
5-[2-dibenzothiophen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155475233
5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621284
5-[5-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146621153
5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621951
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzothiophen-1-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 155474878
5-[3-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167347934
5-[11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163473582
5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714559
5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[2,3-b][1]benzothiol-1-ylphenyl]benzo[b]carbazole
CID 155474598
5-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[b]carbazole
CID 162703781
5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155043263

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
The IUPAC name of 5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (CID 146621257) is 5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
The canonical SMILES for 5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4cc5ccccc5cc43)nc(-c3cccc4sc5ccccc5c34)n2)cc1.
What is the InChIKey of 5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
The InChIKey is VWKHDNSFNLAXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4S/c1-2-13-27(14-3-1)41-44-42(46-43(45-41)33-20-12-24-39-40(33)32-19-8-11-23-38(32)48-39)31-18-7-10-22-36(31)47-35-21-9-6-17-30(35)34-25-28-15-4-5-16-29(28)26-37(34)47/h1-26H.
What are the key properties of 5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole has a molecular weight of 630.78 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 146621257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).