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

C55H30N4O3 — CID 164714899

IUPAC5-[1-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4oc5ccccc5c4c3)n2)c2c1oc1ccccc12
InChIInChI=1S/C55H30N4O3/c1-2-12-32-30-45-40(27-31(32)11-1)35-13-3-7-17-43(35)59(45)44-24-23-39(51-38-16-6-10-20-48(38)62-52(44)51)55-57-53(33-21-25-49-41(28-33)36-14-4-8-18-46(36)60-49)56-54(58-55)34-22-26-50-42(29-34)37-15-5-9-19-47(37)61-50/h1-30H
InChIKeyPKOXJAFXVVEHPY-UHFFFAOYSA-N
MW794.87 g/mol
LogP14.82
Rot. Bonds4

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

5-[1-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole (PubChem CID 164714899) has the molecular formula C55H30N4O3 and a molecular weight of 794.87 g/mol. Its IUPAC name is 5-[1-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[1-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
PubChem CID164714899
Molecular FormulaC55H30N4O3
Molecular Weight794.87 g/mol
Exact Mass794.23
IUPAC Name5-[1-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4oc5ccccc5c4c3)n2)c2c1oc1ccccc12
InChIInChI=1S/C55H30N4O3/c1-2-12-32-30-45-40(27-31(32)11-1)35-13-3-7-17-43(35)59(45)44-24-23-39(51-38-16-6-10-20-48(38)62-52(44)51)55-57-53(33-21-25-49-41(28-33)36-14-4-8-18-46(36)60-49)56-54(58-55)34-22-26-50-42(29-34)37-15-5-9-19-47(37)61-50/h1-30H
InChIKeyPKOXJAFXVVEHPY-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-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164714933
5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164715102
7-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzofuro[2,3-b]carbazole
CID 155158730
9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 167032741
9-[1-dibenzofuran-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 166496108
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-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 163680086
5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699659
5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 167347585
12-[1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 164715133
4-(4-benzo[b]carbazol-5-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine
CID 174311943
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-[1-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole?
The IUPAC name of 5-[1-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole (CID 164714899) is 5-[1-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[1-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole?
The canonical SMILES for 5-[1-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4oc5ccccc5c4c3)n2)c2c1oc1ccccc12.
What is the InChIKey of 5-[1-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole?
The InChIKey is PKOXJAFXVVEHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H30N4O3/c1-2-12-32-30-45-40(27-31(32)11-1)35-13-3-7-17-43(35)59(45)44-24-23-39(51-38-16-6-10-20-48(38)62-52(44)51)55-57-53(33-21-25-49-41(28-33)36-14-4-8-18-46(36)60-49)56-54(58-55)34-22-26-50-42(29-34)37-15-5-9-19-47(37)61-50/h1-30H.
What are the key properties of 5-[1-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole?
5-[1-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-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-[1-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole is sourced from PubChem (CID 164714899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).