8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzofuran-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole

C75H44N6OS — CID 118503283

IUPAC8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzofuran-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6oc7ccc(-c8ccc9c(c8)c8cc%10sc%11ccccc%11c%10cc8n9-c8ccccc8)cc7c6c5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1
InChIInChI=1S/C75H44N6OS/c1-5-17-45(18-6-1)73-76-74(46-19-7-2-8-20-46)78-75(77-73)81-65-34-30-48(37-55(65)58-42-66-57(41-68(58)81)53-25-13-15-27-63(53)79(66)51-21-9-3-10-22-51)50-32-36-70-61(40-50)60-39-49(31-35-69(60)82-70)47-29-33-64-56(38-47)59-44-72-62(54-26-14-16-28-71(54)83-72)43-67(59)80(64)52-23-11-4-12-24-52/h1-44H
InChIKeyLVBHGJIOKBXYLJ-UHFFFAOYSA-N
MW1077.29 g/mol
LogP20.10
Rot. Bonds7

About 8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzofuran-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole

8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzofuran-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole (PubChem CID 118503283) has the molecular formula C75H44N6OS and a molecular weight of 1077.29 g/mol. Its IUPAC name is 8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzofuran-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzofuran-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
PubChem CID118503283
Molecular FormulaC75H44N6OS
Molecular Weight1077.29 g/mol
Exact Mass1076.33
IUPAC Name8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzofuran-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6oc7ccc(-c8ccc9c(c8)c8cc%10sc%11ccccc%11c%10cc8n9-c8ccccc8)cc7c6c5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1
InChIInChI=1S/C75H44N6OS/c1-5-17-45(18-6-1)73-76-74(46-19-7-2-8-20-46)78-75(77-73)81-65-34-30-48(37-55(65)58-42-66-57(41-68(58)81)53-25-13-15-27-63(53)79(66)51-21-9-3-10-22-51)50-32-36-70-61(40-50)60-39-49(31-35-69(60)82-70)47-29-33-64-56(38-47)59-44-72-62(54-26-14-16-28-71(54)83-72)43-67(59)80(64)52-23-11-4-12-24-52/h1-44H
InChIKeyLVBHGJIOKBXYLJ-UHFFFAOYSA-N
XLogP20.10
TPSA66.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001077.29
LogP ≤ 520.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzofuran-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzofuran-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzofuran-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole (CID 118503283) is 8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzofuran-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzofuran-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzofuran-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6oc7ccc(-c8ccc9c(c8)c8cc%10sc%11ccccc%11c%10cc8n9-c8ccccc8)cc7c6c5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.
What is the InChIKey of 8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzofuran-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is LVBHGJIOKBXYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H44N6OS/c1-5-17-45(18-6-1)73-76-74(46-19-7-2-8-20-46)78-75(77-73)81-65-34-30-48(37-55(65)58-42-66-57(41-68(58)81)53-25-13-15-27-63(53)79(66)51-21-9-3-10-22-51)50-32-36-70-61(40-50)60-39-49(31-35-69(60)82-70)47-29-33-64-56(38-47)59-44-72-62(54-26-14-16-28-71(54)83-72)43-67(59)80(64)52-23-11-4-12-24-52/h1-44H.
What are the key properties of 8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzofuran-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole?
8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzofuran-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 1077.29 g/mol, XLogP of 20.10, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzofuran-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 118503283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).