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

C57H35N5S — CID 174273676

IUPAC4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C57H35N5S/c1-3-18-36(19-4-1)55-58-56(60-57(59-55)44-28-17-35-51-54(44)43-25-10-14-34-50(43)63-51)42-24-9-13-31-47(42)62-46-30-12-8-23-41(46)53-39(27-16-33-49(53)62)38-26-15-32-48-52(38)40-22-7-11-29-45(40)61(48)37-20-5-2-6-21-37/h1-35H
InChIKeyBKXSIMPCMNYHDJ-UHFFFAOYSA-N
MW822.01 g/mol
LogP15.10
Rot. Bonds6

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

4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole (PubChem CID 174273676) has the molecular formula C57H35N5S and a molecular weight of 822.01 g/mol. Its IUPAC name is 4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
PubChem CID174273676
Molecular FormulaC57H35N5S
Molecular Weight822.01 g/mol
Exact Mass821.26
IUPAC Name4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C57H35N5S/c1-3-18-36(19-4-1)55-58-56(60-57(59-55)44-28-17-35-51-54(44)43-25-10-14-34-50(43)63-51)42-24-9-13-31-47(42)62-46-30-12-8-23-41(46)53-39(27-16-33-49(53)62)38-26-15-32-48-52(38)40-22-7-11-29-45(40)61(48)37-20-5-2-6-21-37/h1-35H
InChIKeyBKXSIMPCMNYHDJ-UHFFFAOYSA-N
XLogP15.10
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.01
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174271172
2-dibenzothiophen-4-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174275118
4-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174273028
5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621257
12-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 134169019
1-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807762
4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 160649788
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]carbazole
CID 166952899
1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
CID 176874220
4-[9-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174273198
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270072
1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
CID 176874272

Frequently Asked Questions

What is the IUPAC name of 4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole?
The IUPAC name of 4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole (CID 174273676) is 4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)nc(-c3cccc4sc5ccccc5c34)n2)cc1.
What is the InChIKey of 4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole?
The InChIKey is BKXSIMPCMNYHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5S/c1-3-18-36(19-4-1)55-58-56(60-57(59-55)44-28-17-35-51-54(44)43-25-10-14-34-50(43)63-51)42-24-9-13-31-47(42)62-46-30-12-8-23-41(46)53-39(27-16-33-49(53)62)38-26-15-32-48-52(38)40-22-7-11-29-45(40)61(48)37-20-5-2-6-21-37/h1-35H.
What are the key properties of 4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole?
4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole has a molecular weight of 822.01 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 174273676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).