3-[8-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazole

C69H41N5OS — CID 90211351

IUPAC3-[8-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-n5c6ccccc6c6cc(-c7ccc8sc9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9c8c7)ccc65)cccc34)n2)cc1
InChIInChI=1S/C69H41N5OS/c1-4-16-42(17-5-1)67-70-68(43-18-6-2-7-19-43)72-69(71-67)53-26-14-24-51-52-25-15-29-62(66(52)75-65(51)53)74-59-28-13-11-23-50(59)55-39-45(31-35-61(55)74)47-33-37-64-57(41-47)56-40-46(32-36-63(56)76-64)44-30-34-60-54(38-44)49-22-10-12-27-58(49)73(60)48-20-8-3-9-21-48/h1-41H
InChIKeyONTXGSVWMNQODG-UHFFFAOYSA-N
MW988.19 g/mol
LogP18.67
Rot. Bonds7

About 3-[8-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazole

3-[8-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazole (PubChem CID 90211351) has the molecular formula C69H41N5OS and a molecular weight of 988.19 g/mol. Its IUPAC name is 3-[8-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[8-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazole
PubChem CID90211351
Molecular FormulaC69H41N5OS
Molecular Weight988.19 g/mol
Exact Mass987.30
IUPAC Name3-[8-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-n5c6ccccc6c6cc(-c7ccc8sc9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9c8c7)ccc65)cccc34)n2)cc1
InChIInChI=1S/C69H41N5OS/c1-4-16-42(17-5-1)67-70-68(43-18-6-2-7-19-43)72-69(71-67)53-26-14-24-51-52-25-15-29-62(66(52)75-65(51)53)74-59-28-13-11-23-50(59)55-39-45(31-35-61(55)74)47-33-37-64-57(41-47)56-40-46(32-36-63(56)76-64)44-30-34-60-54(38-44)49-22-10-12-27-58(49)73(60)48-20-8-3-9-21-48/h1-41H
InChIKeyONTXGSVWMNQODG-UHFFFAOYSA-N
XLogP18.67
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500988.19
LogP ≤ 518.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[8-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[8-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[8-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazole (CID 90211351) is 3-[8-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[8-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[8-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-n5c6ccccc6c6cc(-c7ccc8sc9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9c8c7)ccc65)cccc34)n2)cc1.
What is the InChIKey of 3-[8-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazole?
The InChIKey is ONTXGSVWMNQODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H41N5OS/c1-4-16-42(17-5-1)67-70-68(43-18-6-2-7-19-43)72-69(71-67)53-26-14-24-51-52-25-15-29-62(66(52)75-65(51)53)74-59-28-13-11-23-50(59)55-39-45(31-35-61(55)74)47-33-37-64-57(41-47)56-40-46(32-36-63(56)76-64)44-30-34-60-54(38-44)49-22-10-12-27-58(49)73(60)48-20-8-3-9-21-48/h1-41H.
What are the key properties of 3-[8-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazole?
3-[8-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazole has a molecular weight of 988.19 g/mol, XLogP of 18.67, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]dibenzothiophen-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 90211351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).