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

C63H36N6S2 — CID 163980013

IUPAC9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole
SMILESc1ccc2c(c1)sc1c(-c3cccc4c5ccccc5n(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7cccc(-c8cccc9c8sc8ccccc89)c76)n5)c34)cccc12
InChIInChI=1S/C63H36N6S2/c1-7-31-51-37(17-1)38-18-2-8-32-52(38)67(51)61-64-62(68-53-33-9-3-19-39(53)43-23-13-25-45(57(43)68)49-29-15-27-47-41-21-5-11-35-55(41)70-59(47)49)66-63(65-61)69-54-34-10-4-20-40(54)44-24-14-26-46(58(44)69)50-30-16-28-48-42-22-6-12-36-56(42)71-60(48)50/h1-36H
InChIKeySXNZJYSVKWWHCK-UHFFFAOYSA-N
MW941.16 g/mol
LogP17.23
Rot. Bonds5

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

9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole (PubChem CID 163980013) has the molecular formula C63H36N6S2 and a molecular weight of 941.16 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole
PubChem CID163980013
Molecular FormulaC63H36N6S2
Molecular Weight941.16 g/mol
Exact Mass940.24
IUPAC Name9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole
SMILESc1ccc2c(c1)sc1c(-c3cccc4c5ccccc5n(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7cccc(-c8cccc9c8sc8ccccc89)c76)n5)c34)cccc12
InChIInChI=1S/C63H36N6S2/c1-7-31-51-37(17-1)38-18-2-8-32-52(38)67(51)61-64-62(68-53-33-9-3-19-39(53)43-23-13-25-45(57(43)68)49-29-15-27-47-41-21-5-11-35-55(41)70-59(47)49)66-63(65-61)69-54-34-10-4-20-40(54)44-24-14-26-46(58(44)69)50-30-16-28-48-42-22-6-12-36-56(42)71-60(48)50/h1-36H
InChIKeySXNZJYSVKWWHCK-UHFFFAOYSA-N
XLogP17.23
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.16
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole with MolForge

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Related Compounds

9-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole
CID 139303080
9-[4-[3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358100
9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-1-dibenzothiophen-4-ylcarbazole
CID 163852229
9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742559
1-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 164950880
12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 118888288
23-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-thia-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 118545746
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,6-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165507
9-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 118154242
12-(4-naphthalen-1-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 129224883
12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 146642309
9-(4-dibenzothiophen-4-ylquinazolin-2-yl)-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672629

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole (CID 163980013) is 9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole is c1ccc2c(c1)sc1c(-c3cccc4c5ccccc5n(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7cccc(-c8cccc9c8sc8ccccc89)c76)n5)c34)cccc12.
What is the InChIKey of 9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole?
The InChIKey is SXNZJYSVKWWHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H36N6S2/c1-7-31-51-37(17-1)38-18-2-8-32-52(38)67(51)61-64-62(68-53-33-9-3-19-39(53)43-23-13-25-45(57(43)68)49-29-15-27-47-41-21-5-11-35-55(41)70-59(47)49)66-63(65-61)69-54-34-10-4-20-40(54)44-24-14-26-46(58(44)69)50-30-16-28-48-42-22-6-12-36-56(42)71-60(48)50/h1-36H.
What are the key properties of 9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole?
9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole has a molecular weight of 941.16 g/mol, XLogP of 17.23, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole is sourced from PubChem (CID 163980013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).