5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole

C55H30N4O3 — CID 166699659

IUPAC5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5ccccc5c34)n2)c2oc3ccccc3c12
InChIInChI=1S/C55H30N4O3/c1-2-14-32-30-43-40(29-31(32)13-1)33-15-3-7-21-41(33)59(43)42-28-27-39(52-51(42)36-18-6-10-24-46(36)62-52)55-57-53(37-19-11-25-47-49(37)34-16-4-8-22-44(34)60-47)56-54(58-55)38-20-12-26-48-50(38)35-17-5-9-23-45(35)61-48/h1-30H
InChIKeyUSGWOTTWHQSNDW-UHFFFAOYSA-N
MW794.87 g/mol
LogP14.82
Rot. Bonds4

About 5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole

5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole (PubChem CID 166699659) has the molecular formula C55H30N4O3 and a molecular weight of 794.87 g/mol. Its IUPAC name is 5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
PubChem CID166699659
Molecular FormulaC55H30N4O3
Molecular Weight794.87 g/mol
Exact Mass794.23
IUPAC Name5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5ccccc5c34)n2)c2oc3ccccc3c12
InChIInChI=1S/C55H30N4O3/c1-2-14-32-30-43-40(29-31(32)13-1)33-15-3-7-21-41(33)59(43)42-28-27-39(52-51(42)36-18-6-10-24-46(36)62-52)55-57-53(37-19-11-25-47-49(37)34-16-4-8-22-44(34)60-47)56-54(58-55)38-20-12-26-48-50(38)35-17-5-9-23-45(35)61-48/h1-30H
InChIKeyUSGWOTTWHQSNDW-UHFFFAOYSA-N
XLogP14.82
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.87
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[10-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 167347761
5-[4-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 167347963
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699493
5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699258
5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164715102
12-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155042959
5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699331
5-[1-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164714899
5-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164714933
5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 163680086
5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714660
5-[2-naphtho[1,2-b][1]benzofuran-6-yl-4-(4-phenyl-6-triphenylen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155474553

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole (CID 166699659) is 5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5ccccc5c34)n2)c2oc3ccccc3c12.
What is the InChIKey of 5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?
The InChIKey is USGWOTTWHQSNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H30N4O3/c1-2-14-32-30-43-40(29-31(32)13-1)33-15-3-7-21-41(33)59(43)42-28-27-39(52-51(42)36-18-6-10-24-46(36)62-52)55-57-53(37-19-11-25-47-49(37)34-16-4-8-22-44(34)60-47)56-54(58-55)38-20-12-26-48-50(38)35-17-5-9-23-45(35)61-48/h1-30H.
What are the key properties of 5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?
5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole has a molecular weight of 794.87 g/mol, XLogP of 14.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole is sourced from PubChem (CID 166699659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).