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

C53H30N4O2 — CID 166699493

IUPAC5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc2cc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5c4oc4ccccc45)n3)ccc2c1
InChIInChI=1S/C53H30N4O2/c1-2-13-32-28-35(25-24-31(32)12-1)51-54-52(40-20-11-19-38-37-17-6-9-22-46(37)58-49(38)40)56-53(55-51)41-26-27-44(48-39-18-7-10-23-47(39)59-50(41)48)57-43-21-8-5-16-36(43)42-29-33-14-3-4-15-34(33)30-45(42)57/h1-30H
InChIKeyLAUMAWWXHPPEOO-UHFFFAOYSA-N
MW754.85 g/mol
LogP14.07
Rot. Bonds4

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

5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole (PubChem CID 166699493) has the molecular formula C53H30N4O2 and a molecular weight of 754.85 g/mol. Its IUPAC name is 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
PubChem CID166699493
Molecular FormulaC53H30N4O2
Molecular Weight754.85 g/mol
Exact Mass754.24
IUPAC Name5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc2cc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5c4oc4ccccc45)n3)ccc2c1
InChIInChI=1S/C53H30N4O2/c1-2-13-32-28-35(25-24-31(32)12-1)51-54-52(40-20-11-19-38-37-17-6-9-22-46(37)58-49(38)40)56-53(55-51)41-26-27-44(48-39-18-7-10-23-47(39)59-50(41)48)57-43-21-8-5-16-36(43)42-29-33-14-3-4-15-34(33)30-45(42)57/h1-30H
InChIKeyLAUMAWWXHPPEOO-UHFFFAOYSA-N
XLogP14.07
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.85
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699659
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-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164714933
5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 166700023
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[1,2-b][1]benzofuran-6-ylphenyl]benzo[b]carbazole
CID 155474561
5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155474903
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-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 155042478
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-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164715102
5-[3-dibenzofuran-4-yl-4-(4-naphthalen-2-yl-6-triphenylen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155430456
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167348048

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole (CID 166699493) is 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole is c1ccc2cc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5c4oc4ccccc45)n3)ccc2c1.
What is the InChIKey of 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole?
The InChIKey is LAUMAWWXHPPEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N4O2/c1-2-13-32-28-35(25-24-31(32)12-1)51-54-52(40-20-11-19-38-37-17-6-9-22-46(37)58-49(38)40)56-53(55-51)41-26-27-44(48-39-18-7-10-23-47(39)59-50(41)48)57-43-21-8-5-16-36(43)42-29-33-14-3-4-15-34(33)30-45(42)57/h1-30H.
What are the key properties of 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole?
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole has a molecular weight of 754.85 g/mol, XLogP of 14.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole is sourced from PubChem (CID 166699493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).