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

C55H30N4O3 — CID 142570342

IUPAC4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1cccc(-c2cccc4c2oc2ccccc24)c1n3-c1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C55H30N4O3/c1-2-12-32-28-45-44(27-31(32)11-1)41-17-9-16-40(43-19-10-18-42-37-15-5-8-22-48(37)62-52(42)43)51(41)59(45)55-57-53(33-23-25-38-35-13-3-6-20-46(35)60-49(38)29-33)56-54(58-55)34-24-26-39-36-14-4-7-21-47(36)61-50(39)30-34/h1-30H
InChIKeyPTUHQODSYBIJIC-UHFFFAOYSA-N
MW794.87 g/mol
LogP14.82
Rot. Bonds4

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

4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole (PubChem CID 142570342) has the molecular formula C55H30N4O3 and a molecular weight of 794.87 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole
PubChem CID142570342
Molecular FormulaC55H30N4O3
Molecular Weight794.87 g/mol
Exact Mass794.23
IUPAC Name4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1cccc(-c2cccc4c2oc2ccccc24)c1n3-c1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C55H30N4O3/c1-2-12-32-28-45-44(27-31(32)11-1)41-17-9-16-40(43-19-10-18-42-37-15-5-8-22-48(37)62-52(42)43)51(41)59(45)55-57-53(33-23-25-38-35-13-3-6-20-46(35)60-49(38)29-33)56-54(58-55)34-24-26-39-36-14-4-7-21-47(36)61-50(39)30-34/h1-30H
InChIKeyPTUHQODSYBIJIC-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

4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 142567912
4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
CID 142568556
4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane
CID 142571046
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole
CID 142570024
5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole
CID 142572067
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-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 166917707
4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142570823
4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 142570275
4-dibenzofuran-2-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142571859
9-[4-dibenzofuran-3-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169060947
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-8-ylbenzo[b]carbazole
CID 142569825
5-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane
CID 142570393

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole?
The IUPAC name of 4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole (CID 142570342) is 4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole?
The canonical SMILES for 4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1cccc(-c2cccc4c2oc2ccccc24)c1n3-c1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccc3c(c2)oc2ccccc23)n1.
What is the InChIKey of 4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole?
The InChIKey is PTUHQODSYBIJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H30N4O3/c1-2-12-32-28-45-44(27-31(32)11-1)41-17-9-16-40(43-19-10-18-42-37-15-5-8-22-48(37)62-52(42)43)51(41)59(45)55-57-53(33-23-25-38-35-13-3-6-20-46(35)60-49(38)29-33)56-54(58-55)34-24-26-39-36-14-4-7-21-47(36)61-50(39)30-34/h1-30H.
What are the key properties of 4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole?
4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-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 4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 142570342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).