9-[4-carbazol-9-yl-6-(1-carbazol-9-yldibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazole

C51H30N6S — CID 153496522

IUPAC9-[4-carbazol-9-yl-6-(1-carbazol-9-yldibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc2c(c1)sc1ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c(-n3c4ccccc4c4ccccc43)c12
InChIInChI=1S/C51H30N6S/c1-8-22-39-31(15-1)32-16-2-9-23-40(32)55(39)48-38(29-30-46-47(48)37-21-7-14-28-45(37)58-46)49-52-50(56-41-24-10-3-17-33(41)34-18-4-11-25-42(34)56)54-51(53-49)57-43-26-12-5-19-35(43)36-20-6-13-27-44(36)57/h1-30H
InChIKeyCWOOVBYDWZVVFG-UHFFFAOYSA-N
MW758.91 g/mol
LogP13.20
Rot. Bonds4

About 9-[4-carbazol-9-yl-6-(1-carbazol-9-yldibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazole

9-[4-carbazol-9-yl-6-(1-carbazol-9-yldibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 153496522) has the molecular formula C51H30N6S and a molecular weight of 758.91 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-(1-carbazol-9-yldibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-(1-carbazol-9-yldibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID153496522
Molecular FormulaC51H30N6S
Molecular Weight758.91 g/mol
Exact Mass758.23
IUPAC Name9-[4-carbazol-9-yl-6-(1-carbazol-9-yldibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc2c(c1)sc1ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c(-n3c4ccccc4c4ccccc43)c12
InChIInChI=1S/C51H30N6S/c1-8-22-39-31(15-1)32-16-2-9-23-40(32)55(39)48-38(29-30-46-47(48)37-21-7-14-28-45(37)58-46)49-52-50(56-41-24-10-3-17-33(41)34-18-4-11-25-42(34)56)54-51(53-49)57-43-26-12-5-19-35(43)36-20-6-13-27-44(36)57/h1-30H
InChIKeyCWOOVBYDWZVVFG-UHFFFAOYSA-N
XLogP13.20
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.91
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 163467977
5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166916961
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 118507837
9-[4-[3-(9-dibenzothiophen-1-yldibenzothiophen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358003
19-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,15-dithia-19-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
CID 118301202
5-[2-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 167347592
2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 134236586
9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)carbazole
CID 118154625
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 122466032
9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 149013970

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-(1-carbazol-9-yldibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-(1-carbazol-9-yldibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazole (CID 153496522) is 9-[4-carbazol-9-yl-6-(1-carbazol-9-yldibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-(1-carbazol-9-yldibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-(1-carbazol-9-yldibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazole is c1ccc2c(c1)sc1ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c(-n3c4ccccc4c4ccccc43)c12.
What is the InChIKey of 9-[4-carbazol-9-yl-6-(1-carbazol-9-yldibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is CWOOVBYDWZVVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N6S/c1-8-22-39-31(15-1)32-16-2-9-23-40(32)55(39)48-38(29-30-46-47(48)37-21-7-14-28-45(37)58-46)49-52-50(56-41-24-10-3-17-33(41)34-18-4-11-25-42(34)56)54-51(53-49)57-43-26-12-5-19-35(43)36-20-6-13-27-44(36)57/h1-30H.
What are the key properties of 9-[4-carbazol-9-yl-6-(1-carbazol-9-yldibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazole?
9-[4-carbazol-9-yl-6-(1-carbazol-9-yldibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 758.91 g/mol, XLogP of 13.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-6-(1-carbazol-9-yldibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 153496522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).