1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole

C45H26N4O2 — CID 166134655

IUPAC1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole
SMILESc1ccc(-c2cccc3c2[nH]c2ccccc23)c(-c2c(-c3cccc4oc5ccccc5c34)nnnc2-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C45H26N4O2/c1-2-14-28(26(12-1)29-17-9-18-30-27-13-3-6-21-35(27)46-43(29)30)42-44(33-19-10-24-38-40(33)31-15-4-7-22-36(31)50-38)47-49-48-45(42)34-20-11-25-39-41(34)32-16-5-8-23-37(32)51-39/h1-25,46H
InChIKeyQFYIKAFAAYCYFL-UHFFFAOYSA-N
MW654.73 g/mol
LogP11.97
Rot. Bonds4

About 1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole

1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole (PubChem CID 166134655) has the molecular formula C45H26N4O2 and a molecular weight of 654.73 g/mol. Its IUPAC name is 1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole.

Molecular Properties

Compound Name1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole
PubChem CID166134655
Molecular FormulaC45H26N4O2
Molecular Weight654.73 g/mol
Exact Mass654.21
IUPAC Name1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole
SMILESc1ccc(-c2cccc3c2[nH]c2ccccc23)c(-c2c(-c3cccc4oc5ccccc5c34)nnnc2-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C45H26N4O2/c1-2-14-28(26(12-1)29-17-9-18-30-27-13-3-6-21-35(27)46-43(29)30)42-44(33-19-10-24-38-40(33)31-15-4-7-22-36(31)50-38)47-49-48-45(42)34-20-11-25-39-41(34)32-16-5-8-23-37(32)51-39/h1-25,46H
InChIKeyQFYIKAFAAYCYFL-UHFFFAOYSA-N
XLogP11.97
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.73
LogP ≤ 511.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole
CID 166134015
1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole
CID 166134969
5-dibenzofuran-1-yl-4,6-diphenyltriazine
CID 175810934
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
9-(9H-carbazol-1-yl)-N,N-diphenyldibenzofuran-2-amine
CID 154697221
4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine
CID 175594594
12H-[1]benzofuro[3,2-a]carbazole;ethane
CID 167453025
1-[4-(9H-carbazol-1-yl)triazin-5-yl]-9H-carbazole
CID 118037607
4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
CID 166134431
4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 166133631
4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
CID 166134711
1-fluoranthen-3-yl-9H-carbazole
CID 142752993

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole?
The IUPAC name of 1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole (CID 166134655) is 1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole.
What is the SMILES notation for 1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole?
The canonical SMILES for 1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole is c1ccc(-c2cccc3c2[nH]c2ccccc23)c(-c2c(-c3cccc4oc5ccccc5c34)nnnc2-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of 1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole?
The InChIKey is QFYIKAFAAYCYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4O2/c1-2-14-28(26(12-1)29-17-9-18-30-27-13-3-6-21-35(27)46-43(29)30)42-44(33-19-10-24-38-40(33)31-15-4-7-22-36(31)50-38)47-49-48-45(42)34-20-11-25-39-41(34)32-16-5-8-23-37(32)51-39/h1-25,46H.
What are the key properties of 1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole?
1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole has a molecular weight of 654.73 g/mol, XLogP of 11.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole is sourced from PubChem (CID 166134655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).