2-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole

C51H32N4S — CID 164980671

IUPAC2-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3ccccc3-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)n3)cc2)cc1
InChIInChI=1S/C51H32N4S/c1-3-13-33(14-4-1)34-23-25-35(26-24-34)39-17-7-8-20-44(39)51-53-49(52-50(54-51)37-28-30-43-42-19-10-12-22-47(42)56-48(43)32-37)36-27-29-41-40-18-9-11-21-45(40)55(46(41)31-36)38-15-5-2-6-16-38/h1-32H
InChIKeyFKYZXLNHVYGCMZ-UHFFFAOYSA-N
MW732.91 g/mol
LogP13.67
Rot. Bonds6

About 2-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole

2-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 164980671) has the molecular formula C51H32N4S and a molecular weight of 732.91 g/mol. Its IUPAC name is 2-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
PubChem CID164980671
Molecular FormulaC51H32N4S
Molecular Weight732.91 g/mol
Exact Mass732.23
IUPAC Name2-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3ccccc3-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)n3)cc2)cc1
InChIInChI=1S/C51H32N4S/c1-3-13-33(14-4-1)34-23-25-35(26-24-34)39-17-7-8-20-44(39)51-53-49(52-50(54-51)37-28-30-43-42-19-10-12-22-47(42)56-48(43)32-37)36-27-29-41-40-18-9-11-21-45(40)55(46(41)31-36)38-15-5-2-6-16-38/h1-32H
InChIKeyFKYZXLNHVYGCMZ-UHFFFAOYSA-N
XLogP13.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.91
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 118154600
4-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 165098762
2-carbazol-9-yl-9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole
CID 176640466
4-[4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 165107113
6-dibenzothiophen-3-yl-9-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162705058
9-[4-carbazol-9-yl-6-(2-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742494
9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-2-phenylcarbazole
CID 154624436
11-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 134168992
6-dibenzothiophen-3-yl-9-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162705083
2-[4-dibenzothiophen-4-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171445636
9-phenyl-2-[2-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]phenyl]carbazole
CID 170192315
9-[3-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747324

Frequently Asked Questions

What is the IUPAC name of 2-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The IUPAC name of 2-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 164980671) is 2-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole is c1ccc(-c2ccc(-c3ccccc3-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)n3)cc2)cc1.
What is the InChIKey of 2-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The InChIKey is FKYZXLNHVYGCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4S/c1-3-13-33(14-4-1)34-23-25-35(26-24-34)39-17-7-8-20-44(39)51-53-49(52-50(54-51)37-28-30-43-42-19-10-12-22-47(42)56-48(43)32-37)36-27-29-41-40-18-9-11-21-45(40)55(46(41)31-36)38-15-5-2-6-16-38/h1-32H.
What are the key properties of 2-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole?
2-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole has a molecular weight of 732.91 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 164980671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).