5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11-methyl-11-phenylindeno[1,2-b]carbazole

C53H34N4S — CID 130231208

IUPAC5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11-methyl-11-phenylindeno[1,2-b]carbazole
SMILESCC1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2sc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2c1
InChIInChI=1S/C53H34N4S/c1-53(35-20-9-4-10-21-35)43-25-13-11-22-37(43)40-32-46-41(31-44(40)53)38-23-12-14-26-45(38)57(46)36-28-29-47-42(30-36)49-39(24-15-27-48(49)58-47)52-55-50(33-16-5-2-6-17-33)54-51(56-52)34-18-7-3-8-19-34/h2-32H,1H3
InChIKeyCNUFZZYMCGPUGE-UHFFFAOYSA-N
MW758.95 g/mol
LogP13.67
Rot. Bonds5

About 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11-methyl-11-phenylindeno[1,2-b]carbazole

5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11-methyl-11-phenylindeno[1,2-b]carbazole (PubChem CID 130231208) has the molecular formula C53H34N4S and a molecular weight of 758.95 g/mol. Its IUPAC name is 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11-methyl-11-phenylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11-methyl-11-phenylindeno[1,2-b]carbazole
PubChem CID130231208
Molecular FormulaC53H34N4S
Molecular Weight758.95 g/mol
Exact Mass758.25
IUPAC Name5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11-methyl-11-phenylindeno[1,2-b]carbazole
SMILESCC1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2sc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2c1
InChIInChI=1S/C53H34N4S/c1-53(35-20-9-4-10-21-35)43-25-13-11-22-37(43)40-32-46-41(31-44(40)53)38-23-12-14-26-45(38)57(46)36-28-29-47-42(30-36)49-39(24-15-27-48(49)58-47)52-55-50(33-16-5-2-6-17-33)54-51(56-52)34-18-7-3-8-19-34/h2-32H,1H3
InChIKeyCNUFZZYMCGPUGE-UHFFFAOYSA-N
XLogP13.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.95
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 164779105
5-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[b]carbazole
CID 162703781
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 130231202
3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 154602202
5-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 169014751
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-2-yl]carbazole
CID 169010773
5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 166952811
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 169010957
9-phenyl-3-[4-phenyl-6-(8-phenyldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 163512254
3-[3-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 161303255
9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155050202
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155050277

Frequently Asked Questions

What is the IUPAC name of 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11-methyl-11-phenylindeno[1,2-b]carbazole?
The IUPAC name of 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11-methyl-11-phenylindeno[1,2-b]carbazole (CID 130231208) is 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11-methyl-11-phenylindeno[1,2-b]carbazole.
What is the SMILES notation for 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11-methyl-11-phenylindeno[1,2-b]carbazole?
The canonical SMILES for 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11-methyl-11-phenylindeno[1,2-b]carbazole is CC1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2sc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2c1.
What is the InChIKey of 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11-methyl-11-phenylindeno[1,2-b]carbazole?
The InChIKey is CNUFZZYMCGPUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4S/c1-53(35-20-9-4-10-21-35)43-25-13-11-22-37(43)40-32-46-41(31-44(40)53)38-23-12-14-26-45(38)57(46)36-28-29-47-42(30-36)49-39(24-15-27-48(49)58-47)52-55-50(33-16-5-2-6-17-33)54-51(56-52)34-18-7-3-8-19-34/h2-32H,1H3.
What are the key properties of 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11-methyl-11-phenylindeno[1,2-b]carbazole?
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11-methyl-11-phenylindeno[1,2-b]carbazole has a molecular weight of 758.95 g/mol, XLogP of 13.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11-methyl-11-phenylindeno[1,2-b]carbazole is sourced from PubChem (CID 130231208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).