9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole

C51H30N4S2 — CID 169011465

IUPAC9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3cccc(-c5cccc6sc7c(-n8c9ccccc9c9ccccc98)cccc7c56)c34)n2)cc1
InChIInChI=1S/C51H30N4S2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)33-28-29-38-45(30-33)56-43-26-12-20-36(46(38)43)37-21-13-27-44-47(37)39-22-11-25-42(48(39)57-44)55-40-23-9-7-18-34(40)35-19-8-10-24-41(35)55/h1-30H
InChIKeyYPVLMUVMVQRUGI-UHFFFAOYSA-N
MW762.96 g/mol
LogP14.37
Rot. Bonds5

About 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole

9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole (PubChem CID 169011465) has the molecular formula C51H30N4S2 and a molecular weight of 762.96 g/mol. Its IUPAC name is 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole.

Molecular Properties

Compound Name9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole
PubChem CID169011465
Molecular FormulaC51H30N4S2
Molecular Weight762.96 g/mol
Exact Mass762.19
IUPAC Name9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3cccc(-c5cccc6sc7c(-n8c9ccccc9c9ccccc98)cccc7c56)c34)n2)cc1
InChIInChI=1S/C51H30N4S2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)33-28-29-38-45(30-33)56-43-26-12-20-36(46(38)43)37-21-13-27-44-47(37)39-22-11-25-42(48(39)57-44)55-40-23-9-7-18-34(40)35-19-8-10-24-41(35)55/h1-30H
InChIKeyYPVLMUVMVQRUGI-UHFFFAOYSA-N
XLogP14.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.96
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-4-yl]carbazole
CID 169010769
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-1-yl]carbazole
CID 169011191
9-[7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-1-yl]carbazole
CID 169010953
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole
CID 166962189
9-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]carbazole
CID 176773393
9-[7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-4-yl]carbazole
CID 169010577
9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-4-yl]carbazole
CID 169011214
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 169011010
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-1-yl]carbazole
CID 169010600
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-2-yl]carbazole
CID 169010773
9-[2-[9-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole
CID 176607658
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 169011326

Frequently Asked Questions

What is the IUPAC name of 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole?
The IUPAC name of 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole (CID 169011465) is 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole.
What is the SMILES notation for 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole?
The canonical SMILES for 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3cccc(-c5cccc6sc7c(-n8c9ccccc9c9ccccc98)cccc7c56)c34)n2)cc1.
What is the InChIKey of 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole?
The InChIKey is YPVLMUVMVQRUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4S2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)33-28-29-38-45(30-33)56-43-26-12-20-36(46(38)43)37-21-13-27-44-47(37)39-22-11-25-42(48(39)57-44)55-40-23-9-7-18-34(40)35-19-8-10-24-41(35)55/h1-30H.
What are the key properties of 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole?
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole has a molecular weight of 762.96 g/mol, XLogP of 14.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 169011465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).