11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole

C90H54N10S2 — CID 158332810

IUPAC11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1
InChIInChI=1S/2C45H27N5S/c1-3-14-28(15-4-1)43-46-44(33-21-13-25-41-42(33)32-20-9-12-24-40(32)51-41)48-45(47-43)50-37-23-11-8-19-31(37)35-26-38-34(27-39(35)50)30-18-7-10-22-36(30)49(38)29-16-5-2-6-17-29;1-3-13-28(14-4-1)43-46-44(29-23-24-42-36(25-29)33-19-9-12-22-41(33)51-42)48-45(47-43)50-38-21-11-8-18-32(38)35-26-39-34(27-40(35)50)31-17-7-10-20-37(31)49(39)30-15-5-2-6-16-30/h2*1-27H
InChIKeyGQFGDXKVHKDSPY-UHFFFAOYSA-N
MW1339.63 g/mol
LogP23.54
Rot. Bonds8

About 11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole

11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole (PubChem CID 158332810) has the molecular formula C90H54N10S2 and a molecular weight of 1339.63 g/mol. Its IUPAC name is 11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
PubChem CID158332810
Molecular FormulaC90H54N10S2
Molecular Weight1339.63 g/mol
Exact Mass1338.40
IUPAC Name11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1
InChIInChI=1S/2C45H27N5S/c1-3-14-28(15-4-1)43-46-44(33-21-13-25-41-42(33)32-20-9-12-24-40(32)51-41)48-45(47-43)50-37-23-11-8-19-31(37)35-26-38-34(27-39(35)50)30-18-7-10-22-36(30)49(38)29-16-5-2-6-17-29;1-3-13-28(14-4-1)43-46-44(29-23-24-42-36(25-29)33-19-9-12-22-41(33)51-42)48-45(47-43)50-38-21-11-8-18-32(38)35-26-39-34(27-40(35)50)31-17-7-10-20-37(31)49(39)30-15-5-2-6-16-30/h2*1-27H
InChIKeyGQFGDXKVHKDSPY-UHFFFAOYSA-N
XLogP23.54
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001339.63
LogP ≤ 523.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole with MolForge

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Related Compounds

9-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534530
3-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768079
9-phenyl-3-[4-phenyl-6-(8-phenyldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 163512254
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-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 118507837
5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(3-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
CID 170542485
2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 170265361
4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 160649788
11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 164779105
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 154601853
5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166916961

Frequently Asked Questions

What is the IUPAC name of 11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole (CID 158332810) is 11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole is c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.
What is the InChIKey of 11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole?
The InChIKey is GQFGDXKVHKDSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H27N5S/c1-3-14-28(15-4-1)43-46-44(33-21-13-25-41-42(33)32-20-9-12-24-40(32)51-41)48-45(47-43)50-37-23-11-8-19-31(37)35-26-38-34(27-39(35)50)30-18-7-10-22-36(30)49(38)29-16-5-2-6-17-29;1-3-13-28(14-4-1)43-46-44(29-23-24-42-36(25-29)33-19-9-12-22-41(33)51-42)48-45(47-43)50-38-21-11-8-18-32(38)35-26-39-34(27-40(35)50)31-17-7-10-20-37(31)49(39)30-15-5-2-6-16-30/h2*1-27H.
What are the key properties of 11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole?
11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole has a molecular weight of 1339.63 g/mol, XLogP of 23.54, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 158332810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).