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

C51H30N4OS — CID 169011214

IUPAC9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cccc(-c6cccc7sc8c(-n9c%10ccccc%10c%10ccccc%109)cccc8c67)c5c34)n2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-15-31(16-4-1)49-52-50(32-17-5-2-6-18-32)54-51(53-49)38-24-13-29-43-47(38)46-36(21-12-28-42(46)56-43)35-22-14-30-44-45(35)37-23-11-27-41(48(37)57-44)55-39-25-9-7-19-33(39)34-20-8-10-26-40(34)55/h1-30H
InChIKeySXVYYXRJKGKYQJ-UHFFFAOYSA-N
MW746.90 g/mol
LogP13.90
Rot. Bonds5

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

9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-4-yl]carbazole (PubChem CID 169011214) has the molecular formula C51H30N4OS and a molecular weight of 746.90 g/mol. Its IUPAC name is 9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-4-yl]carbazole.

Molecular Properties

Compound Name9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-4-yl]carbazole
PubChem CID169011214
Molecular FormulaC51H30N4OS
Molecular Weight746.90 g/mol
Exact Mass746.21
IUPAC Name9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cccc(-c6cccc7sc8c(-n9c%10ccccc%10c%10ccccc%109)cccc8c67)c5c34)n2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-15-31(16-4-1)49-52-50(32-17-5-2-6-18-32)54-51(53-49)38-24-13-29-43-47(38)46-36(21-12-28-42(46)56-43)35-22-14-30-44-45(35)37-23-11-27-41(48(37)57-44)55-39-25-9-7-19-33(39)34-20-8-10-26-40(34)55/h1-30H
InChIKeySXVYYXRJKGKYQJ-UHFFFAOYSA-N
XLogP13.90
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.90
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 169011010
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]carbazole
CID 169011089
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole
CID 169011465
9-[4-(9-dibenzofuran-1-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155357980
9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole
CID 169011347
9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166961356
9-[7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole
CID 169011119
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 169011326
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]carbazole
CID 166952899
9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-4-yl]carbazole
CID 169010769
9-[2-[9-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole
CID 176607658
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]carbazole
CID 169011495

Frequently Asked Questions

What is the IUPAC name of 9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-4-yl]carbazole?
The IUPAC name of 9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-4-yl]carbazole (CID 169011214) is 9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-4-yl]carbazole.
What is the SMILES notation for 9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-4-yl]carbazole?
The canonical SMILES for 9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-4-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cccc(-c6cccc7sc8c(-n9c%10ccccc%10c%10ccccc%109)cccc8c67)c5c34)n2)cc1.
What is the InChIKey of 9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-4-yl]carbazole?
The InChIKey is SXVYYXRJKGKYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4OS/c1-3-15-31(16-4-1)49-52-50(32-17-5-2-6-18-32)54-51(53-49)38-24-13-29-43-47(38)46-36(21-12-28-42(46)56-43)35-22-14-30-44-45(35)37-23-11-27-41(48(37)57-44)55-39-25-9-7-19-33(39)34-20-8-10-26-40(34)55/h1-30H.
What are the key properties of 9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-4-yl]carbazole?
9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-4-yl]carbazole has a molecular weight of 746.90 g/mol, XLogP of 13.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 169011214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).