3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole

C75H44N6OS — CID 118503309

IUPAC3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6sc7ccc(-c8ccc9c(c8)c8ccc%10c%11ccccc%11oc%10c8n9-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)81-65-36-30-48(40-58(65)60-44-66-59(43-67(60)81)53-25-13-15-27-63(53)79(66)51-21-9-3-10-22-51)50-32-38-70-62(42-50)61-41-49(31-37-69(61)83-70)47-29-35-64-57(39-47)55-33-34-56-54-26-14-16-28-68(54)82-72(56)71(55)80(64)52-23-11-4-12-24-52/h1-44H
InChIKeyJXWXSVSZHBTFJZ-UHFFFAOYSA-N
MW1077.29 g/mol
LogP20.10
Rot. Bonds7

About 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole

3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole (PubChem CID 118503309) has the molecular formula C75H44N6OS and a molecular weight of 1077.29 g/mol. Its IUPAC name is 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
PubChem CID118503309
Molecular FormulaC75H44N6OS
Molecular Weight1077.29 g/mol
Exact Mass1076.33
IUPAC Name3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6sc7ccc(-c8ccc9c(c8)c8ccc%10c%11ccccc%11oc%10c8n9-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)81-65-36-30-48(40-58(65)60-44-66-59(43-67(60)81)53-25-13-15-27-63(53)79(66)51-21-9-3-10-22-51)50-32-38-70-62(42-50)61-41-49(31-37-69(61)83-70)47-29-35-64-57(39-47)55-33-34-56-54-26-14-16-28-68(54)82-72(56)71(55)80(64)52-23-11-4-12-24-52/h1-44H
InChIKeyJXWXSVSZHBTFJZ-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 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole (CID 118503309) is 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6sc7ccc(-c8ccc9c(c8)c8ccc%10c%11ccccc%11oc%10c8n9-c8ccccc8)cc7c6c5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.
What is the InChIKey of 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is JXWXSVSZHBTFJZ-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)81-65-36-30-48(40-58(65)60-44-66-59(43-67(60)81)53-25-13-15-27-63(53)79(66)51-21-9-3-10-22-51)50-32-38-70-62(42-50)61-41-49(31-37-69(61)83-70)47-29-35-64-57(39-47)55-33-34-56-54-26-14-16-28-68(54)82-72(56)71(55)80(64)52-23-11-4-12-24-52/h1-44H.
What are the key properties of 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole?
3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-12-phenyl-[1]benzofuro[2,3-a]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 3-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 118503309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).