9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

C45H28N4S — CID 171438015

IUPAC9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5n(-c5ccccc5-c5ccc6sc7ccccc7c6c5)c4c3)n2)cc1
InChIInChI=1S/C45H28N4S/c1-3-13-29(14-4-1)43-46-44(30-15-5-2-6-16-30)48-45(47-43)32-23-25-35-34-18-8-11-21-39(34)49(40(35)28-32)38-20-10-7-17-33(38)31-24-26-42-37(27-31)36-19-9-12-22-41(36)50-42/h1-28H
InChIKeyPQZVCVLQDBNHNN-UHFFFAOYSA-N
MW656.81 g/mol
LogP12.00
Rot. Bonds5

About 9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 171438015) has the molecular formula C45H28N4S and a molecular weight of 656.81 g/mol. Its IUPAC name is 9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID171438015
Molecular FormulaC45H28N4S
Molecular Weight656.81 g/mol
Exact Mass656.20
IUPAC Name9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5n(-c5ccccc5-c5ccc6sc7ccccc7c6c5)c4c3)n2)cc1
InChIInChI=1S/C45H28N4S/c1-3-13-29(14-4-1)43-46-44(30-15-5-2-6-16-30)48-45(47-43)32-23-25-35-34-18-8-11-21-39(34)49(40(35)28-32)38-20-10-7-17-33(38)31-24-26-42-37(27-31)36-19-9-12-22-41(36)50-42/h1-28H
InChIKeyPQZVCVLQDBNHNN-UHFFFAOYSA-N
XLogP12.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.81
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-carbazol-9-yl-9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179594
2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole;2-dibenzothiophen-4-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;2-(8-phenyldibenzothiophen-4-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164972347
9-(4-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438054
9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534418
9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
CID 177287155
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-1-yl]carbazole
CID 169010600
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 154601853
9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155232271
2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole
CID 146179575
9-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500030
5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621284
2-(3-dibenzothiophen-4-ylphenyl)-9-[4-phenyl-6-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 145097430

Frequently Asked Questions

What is the IUPAC name of 9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 171438015) is 9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5n(-c5ccccc5-c5ccc6sc7ccccc7c6c5)c4c3)n2)cc1.
What is the InChIKey of 9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is PQZVCVLQDBNHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4S/c1-3-13-29(14-4-1)43-46-44(30-15-5-2-6-16-30)48-45(47-43)32-23-25-35-34-18-8-11-21-39(34)49(40(35)28-32)38-20-10-7-17-33(38)31-24-26-42-37(27-31)36-19-9-12-22-41(36)50-42/h1-28H.
What are the key properties of 9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 656.81 g/mol, XLogP of 12.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 171438015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).