12-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole

C96H54N8O4S — CID 163644749

IUPAC12-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6ccc7c8ccccc8sc7c65)cc34)n2)cc1
InChIInChI=1S/C51H28N4O3.C45H26N4OS/c1-2-12-29(13-3-1)49-52-50(38-19-10-17-35-32-15-5-8-22-42(32)56-46(35)38)54-51(53-49)39-20-11-18-36-40-28-30(24-27-44(40)57-47(36)39)55-41-21-7-4-14-31(41)34-25-26-37-33-16-6-9-23-43(33)58-48(37)45(34)55;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)35-19-11-18-33-36-26-29(22-25-38(36)50-41(33)35)49-37-20-9-7-16-30(37)32-23-24-34-31-17-8-10-21-39(31)51-42(34)40(32)49/h1-28H;1-26H
InChIKeyIHHNMJIUDHDIAD-UHFFFAOYSA-N
MW1415.61 g/mol
LogP25.90
Rot. Bonds8

About 12-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole

12-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole (PubChem CID 163644749) has the molecular formula C96H54N8O4S and a molecular weight of 1415.61 g/mol. Its IUPAC name is 12-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole
PubChem CID163644749
Molecular FormulaC96H54N8O4S
Molecular Weight1415.61 g/mol
Exact Mass1414.40
IUPAC Name12-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6ccc7c8ccccc8sc7c65)cc34)n2)cc1
InChIInChI=1S/C51H28N4O3.C45H26N4OS/c1-2-12-29(13-3-1)49-52-50(38-19-10-17-35-32-15-5-8-22-42(32)56-46(35)38)54-51(53-49)39-20-11-18-36-40-28-30(24-27-44(40)57-47(36)39)55-41-21-7-4-14-31(41)34-25-26-37-33-16-6-9-23-43(33)58-48(37)45(34)55;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)35-19-11-18-33-36-26-29(22-25-38(36)50-41(33)35)49-37-20-9-7-16-30(37)32-23-24-34-31-17-8-10-21-39(31)51-42(34)40(32)49/h1-28H;1-26H
InChIKeyIHHNMJIUDHDIAD-UHFFFAOYSA-N
XLogP25.90
TPSA139.76 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001415.61
LogP ≤ 525.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 12-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 12-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole (CID 163644749) is 12-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 12-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 12-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole is c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6ccc7c8ccccc8sc7c65)cc34)n2)cc1.
What is the InChIKey of 12-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is IHHNMJIUDHDIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N4O3.C45H26N4OS/c1-2-12-29(13-3-1)49-52-50(38-19-10-17-35-32-15-5-8-22-42(32)56-46(35)38)54-51(53-49)39-20-11-18-36-40-28-30(24-27-44(40)57-47(36)39)55-41-21-7-4-14-31(41)34-25-26-37-33-16-6-9-23-43(33)58-48(37)45(34)55;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)35-19-11-18-33-36-26-29(22-25-38(36)50-41(33)35)49-37-20-9-7-16-30(37)32-23-24-34-31-17-8-10-21-39(31)51-42(34)40(32)49/h1-28H;1-26H.
What are the key properties of 12-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole?
12-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 1415.61 g/mol, XLogP of 25.90, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 163644749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).