11-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[a]carbazole

C55H34N4S — CID 172500474

IUPAC11-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)nc(-c3ccc(-c4ccccc4)c(-n4c5ccccc5c5ccc6ccccc6c54)c3)n2)cc1
InChIInChI=1S/C55H34N4S/c1-3-14-35(15-4-1)42-29-27-41(34-49(42)59-48-24-11-9-22-44(48)46-30-26-36-16-7-8-21-43(36)52(46)59)55-57-53(37-17-5-2-6-18-37)56-54(58-55)40-20-13-19-38(32-40)39-28-31-51-47(33-39)45-23-10-12-25-50(45)60-51/h1-34H
InChIKeyPBAVTXKTNKEXDF-UHFFFAOYSA-N
MW782.97 g/mol
LogP14.82
Rot. Bonds6

About 11-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[a]carbazole

11-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[a]carbazole (PubChem CID 172500474) has the molecular formula C55H34N4S and a molecular weight of 782.97 g/mol. Its IUPAC name is 11-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[a]carbazole.

Molecular Properties

Compound Name11-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[a]carbazole
PubChem CID172500474
Molecular FormulaC55H34N4S
Molecular Weight782.97 g/mol
Exact Mass782.25
IUPAC Name11-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)nc(-c3ccc(-c4ccccc4)c(-n4c5ccccc5c5ccc6ccccc6c54)c3)n2)cc1
InChIInChI=1S/C55H34N4S/c1-3-14-35(15-4-1)42-29-27-41(34-49(42)59-48-24-11-9-22-44(48)46-30-26-36-16-7-8-21-43(36)52(46)59)55-57-53(37-17-5-2-6-18-37)56-54(58-55)40-20-13-19-38(32-40)39-28-31-51-47(33-39)45-23-10-12-25-50(45)60-51/h1-34H
InChIKeyPBAVTXKTNKEXDF-UHFFFAOYSA-N
XLogP14.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.97
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500030
9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
CID 177287155
12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165480
9-[5-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-naphthalen-1-ylphenyl]carbazole
CID 172500215
11-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
CID 166915369
9-[5-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500468
3-[4-(7-dibenzothiophen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171445727
5-[5-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[b]carbazole
CID 172500432
9-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500292
9-[5-[4-(4-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500359
9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438015
9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole
CID 172500015

Frequently Asked Questions

What is the IUPAC name of 11-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[a]carbazole?
The IUPAC name of 11-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[a]carbazole (CID 172500474) is 11-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[a]carbazole.
What is the SMILES notation for 11-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[a]carbazole?
The canonical SMILES for 11-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[a]carbazole is c1ccc(-c2nc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)nc(-c3ccc(-c4ccccc4)c(-n4c5ccccc5c5ccc6ccccc6c54)c3)n2)cc1.
What is the InChIKey of 11-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[a]carbazole?
The InChIKey is PBAVTXKTNKEXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4S/c1-3-14-35(15-4-1)42-29-27-41(34-49(42)59-48-24-11-9-22-44(48)46-30-26-36-16-7-8-21-43(36)52(46)59)55-57-53(37-17-5-2-6-18-37)56-54(58-55)40-20-13-19-38(32-40)39-28-31-51-47(33-39)45-23-10-12-25-50(45)60-51/h1-34H.
What are the key properties of 11-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[a]carbazole?
11-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[a]carbazole has a molecular weight of 782.97 g/mol, XLogP of 14.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[a]carbazole is sourced from PubChem (CID 172500474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).