5-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-11-phenylbenzo[a]carbazole

C61H37N5O — CID 129126276

IUPAC5-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8cc9c%10ccccc%10n(-c%10ccccc%10)c9c9ccccc89)c7c6c5)ccc43)n2)cc1
InChIInChI=1S/C61H37N5O/c1-4-17-38(18-5-1)59-62-60(39-19-6-2-7-20-39)64-61(63-59)66-53-29-15-12-24-44(53)49-35-40(31-33-54(49)66)41-32-34-55-51(36-41)57-46(27-16-30-56(57)67-55)48-37-50-45-25-13-14-28-52(45)65(42-21-8-3-9-22-42)58(50)47-26-11-10-23-43(47)48/h1-37H
InChIKeyQHORRPIJDSOJIO-UHFFFAOYSA-N
MW856.00 g/mol
LogP15.79
Rot. Bonds6

About 5-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-11-phenylbenzo[a]carbazole

5-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-11-phenylbenzo[a]carbazole (PubChem CID 129126276) has the molecular formula C61H37N5O and a molecular weight of 856.00 g/mol. Its IUPAC name is 5-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name5-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-11-phenylbenzo[a]carbazole
PubChem CID129126276
Molecular FormulaC61H37N5O
Molecular Weight856.00 g/mol
Exact Mass855.30
IUPAC Name5-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8cc9c%10ccccc%10n(-c%10ccccc%10)c9c9ccccc89)c7c6c5)ccc43)n2)cc1
InChIInChI=1S/C61H37N5O/c1-4-17-38(18-5-1)59-62-60(39-19-6-2-7-20-39)64-61(63-59)66-53-29-15-12-24-44(53)49-35-40(31-33-54(49)66)41-32-34-55-51(36-41)57-46(27-16-30-56(57)67-55)48-37-50-45-25-13-14-28-52(45)65(42-21-8-3-9-22-42)58(50)47-26-11-10-23-43(47)48/h1-37H
InChIKeyQHORRPIJDSOJIO-UHFFFAOYSA-N
XLogP15.79
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.00
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-11-phenylbenzo[a]carbazole?
The IUPAC name of 5-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-11-phenylbenzo[a]carbazole (CID 129126276) is 5-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 5-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-11-phenylbenzo[a]carbazole?
The canonical SMILES for 5-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-11-phenylbenzo[a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8cc9c%10ccccc%10n(-c%10ccccc%10)c9c9ccccc89)c7c6c5)ccc43)n2)cc1.
What is the InChIKey of 5-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-11-phenylbenzo[a]carbazole?
The InChIKey is QHORRPIJDSOJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N5O/c1-4-17-38(18-5-1)59-62-60(39-19-6-2-7-20-39)64-61(63-59)66-53-29-15-12-24-44(53)49-35-40(31-33-54(49)66)41-32-34-55-51(36-41)57-46(27-16-30-56(57)67-55)48-37-50-45-25-13-14-28-52(45)65(42-21-8-3-9-22-42)58(50)47-26-11-10-23-43(47)48/h1-37H.
What are the key properties of 5-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-11-phenylbenzo[a]carbazole?
5-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-11-phenylbenzo[a]carbazole has a molecular weight of 856.00 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 129126276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).