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

C57H34N4OS — CID 170228249

IUPAC9-[4-[2-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccccc4-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C57H34N4OS/c1-2-14-35(15-3-1)36-26-28-37(29-27-36)55-58-56(38-30-31-44-43-19-8-12-24-51(43)62-52(44)32-38)60-57(59-55)46-21-5-4-16-40(46)47-33-39(34-48-45-20-9-13-25-53(45)63-54(47)48)61-49-22-10-6-17-41(49)42-18-7-11-23-50(42)61/h1-34H
InChIKeyGHXIXALYDARNKC-UHFFFAOYSA-N
MW822.99 g/mol
LogP15.57
Rot. Bonds6

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

9-[4-[2-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole (PubChem CID 170228249) has the molecular formula C57H34N4OS and a molecular weight of 822.99 g/mol. Its IUPAC name is 9-[4-[2-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-[2-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
PubChem CID170228249
Molecular FormulaC57H34N4OS
Molecular Weight822.99 g/mol
Exact Mass822.25
IUPAC Name9-[4-[2-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccccc4-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C57H34N4OS/c1-2-14-35(15-3-1)36-26-28-37(29-27-36)55-58-56(38-30-31-44-43-19-8-12-24-51(43)62-52(44)32-38)60-57(59-55)46-21-5-4-16-40(46)47-33-39(34-48-45-20-9-13-25-53(45)63-54(47)48)61-49-22-10-6-17-41(49)42-18-7-11-23-50(42)61/h1-34H
InChIKeyGHXIXALYDARNKC-UHFFFAOYSA-N
XLogP15.57
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.99
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(4-dibenzofuran-1-yldibenzothiophen-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 139555563
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 129225740
9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole
CID 170228490
9-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 166953128
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole;2-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 158797000
1-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534650
2-dibenzofuran-3-yl-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2-dibenzofuran-3-yl-9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-dibenzofuran-3-yl-9-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164947961
9-[4-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155357989
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445744
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-naphthalen-1-ylcarbazole
CID 130265385
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;2-phenyl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165082275

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-[4-[2-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole (CID 170228249) is 9-[4-[2-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-[4-[2-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-[4-[2-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccccc4-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 9-[4-[2-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole?
The InChIKey is GHXIXALYDARNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4OS/c1-2-14-35(15-3-1)36-26-28-37(29-27-36)55-58-56(38-30-31-44-43-19-8-12-24-51(43)62-52(44)32-38)60-57(59-55)46-21-5-4-16-40(46)47-33-39(34-48-45-20-9-13-25-53(45)63-54(47)48)61-49-22-10-6-17-41(49)42-18-7-11-23-50(42)61/h1-34H.
What are the key properties of 9-[4-[2-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole?
9-[4-[2-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole has a molecular weight of 822.99 g/mol, XLogP of 15.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 170228249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).