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

C57H36N4S — CID 172500015

IUPAC9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)n5)ccc4-c4ccccc4)c3c2)cc1
InChIInChI=1S/C57H36N4S/c1-4-16-37(17-5-1)40-30-33-47-46-24-10-12-28-50(46)61(52(47)35-40)51-36-43(31-32-44(51)38-18-6-2-7-19-38)57-59-55(39-20-8-3-9-21-39)58-56(60-57)42-23-14-22-41(34-42)45-26-15-27-49-48-25-11-13-29-53(48)62-54(45)49/h1-36H
InChIKeyOJXSROLOODPFGT-UHFFFAOYSA-N
MW809.01 g/mol
LogP15.34
Rot. Bonds7

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

9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole (PubChem CID 172500015) has the molecular formula C57H36N4S and a molecular weight of 809.01 g/mol. Its IUPAC name is 9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole
PubChem CID172500015
Molecular FormulaC57H36N4S
Molecular Weight809.01 g/mol
Exact Mass808.27
IUPAC Name9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)n5)ccc4-c4ccccc4)c3c2)cc1
InChIInChI=1S/C57H36N4S/c1-4-16-37(17-5-1)40-30-33-47-46-24-10-12-28-50(46)61(52(47)35-40)51-36-43(31-32-44(51)38-18-6-2-7-19-38)57-59-55(39-20-8-3-9-21-39)58-56(60-57)42-23-14-22-41(34-42)45-26-15-27-49-48-25-11-13-29-53(48)62-54(45)49/h1-36H
InChIKeyOJXSROLOODPFGT-UHFFFAOYSA-N
XLogP15.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.01
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzothiophen-4-yl-9-[2-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165032572
2-dibenzothiophen-4-yl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzothiophen-4-yl-9-[3-phenyl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164957839
9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500254
9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500039
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-dibenzothiophen-4-ylcarbazole;2-dibenzothiophen-4-yl-9-[2-phenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165033898
3-dibenzothiophen-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 165005678
9-[5-[4-(4-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500359
9-[5-[4-(5-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500399
9-[2-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500324
9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]-4,5-diphenylcarbazole
CID 172500199
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-[5-[4-(3-dibenzothiophen-4-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500204

Frequently Asked Questions

What is the IUPAC name of 9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole?
The IUPAC name of 9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole (CID 172500015) is 9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole.
What is the SMILES notation for 9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole?
The canonical SMILES for 9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)n5)ccc4-c4ccccc4)c3c2)cc1.
What is the InChIKey of 9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole?
The InChIKey is OJXSROLOODPFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4S/c1-4-16-37(17-5-1)40-30-33-47-46-24-10-12-28-50(46)61(52(47)35-40)51-36-43(31-32-44(51)38-18-6-2-7-19-38)57-59-55(39-20-8-3-9-21-39)58-56(60-57)42-23-14-22-41(34-42)45-26-15-27-49-48-25-11-13-29-53(48)62-54(45)49/h1-36H.
What are the key properties of 9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole?
9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole has a molecular weight of 809.01 g/mol, XLogP of 15.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole is sourced from PubChem (CID 172500015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).