6-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole

C57H34N6S — CID 168729320

IUPAC6-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)c5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C57H34N6S/c1-3-17-35(18-4-1)55-58-56(36-31-32-42-41-24-11-16-30-50(41)64-51(42)33-36)60-57(59-55)63-47-28-14-9-23-40(47)44-34-49(62-45-26-12-7-21-38(45)39-22-8-13-27-46(39)62)54-52(53(44)63)43-25-10-15-29-48(43)61(54)37-19-5-2-6-20-37/h1-34H
InChIKeyYDKKUULHJDBZAF-UHFFFAOYSA-N
MW835.01 g/mol
LogP14.86
Rot. Bonds5

About 6-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole

6-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole (PubChem CID 168729320) has the molecular formula C57H34N6S and a molecular weight of 835.01 g/mol. Its IUPAC name is 6-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name6-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
PubChem CID168729320
Molecular FormulaC57H34N6S
Molecular Weight835.01 g/mol
Exact Mass834.26
IUPAC Name6-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)c5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C57H34N6S/c1-3-17-35(18-4-1)55-58-56(36-31-32-42-41-24-11-16-30-50(41)64-51(42)33-36)60-57(59-55)63-47-28-14-9-23-40(47)44-34-49(62-45-26-12-7-21-38(45)39-22-8-13-27-46(39)62)54-52(53(44)63)43-25-10-15-29-48(43)61(54)37-19-5-2-6-20-37/h1-34H
InChIKeyYDKKUULHJDBZAF-UHFFFAOYSA-N
XLogP14.86
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.01
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 134168913
6-carbazol-9-yl-5-phenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 168729529
1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807757
11-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 134168992
6-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 168729171
3-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 168729495
9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169014738
2-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 118154600
12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole;12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole;7-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 163544505
9-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572632
12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 147484306
11-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
CID 166915369

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 6-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole (CID 168729320) is 6-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 6-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 6-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)c5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.
What is the InChIKey of 6-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole?
The InChIKey is YDKKUULHJDBZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N6S/c1-3-17-35(18-4-1)55-58-56(36-31-32-42-41-24-11-16-30-50(41)64-51(42)33-36)60-57(59-55)63-47-28-14-9-23-40(47)44-34-49(62-45-26-12-7-21-38(45)39-22-8-13-27-46(39)62)54-52(53(44)63)43-25-10-15-29-48(43)61(54)37-19-5-2-6-20-37/h1-34H.
What are the key properties of 6-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole?
6-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole has a molecular weight of 835.01 g/mol, XLogP of 14.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 168729320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).