1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole

C51H30N4O2 — CID 166134015

IUPAC1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole
SMILESc1ccc(-c2cccc(-c3cccc4c3[nH]c3ccccc34)c2-c2c(-c3cccc4oc5ccccc5c34)nnnc2-c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C51H30N4O2/c1-2-14-30(15-3-1)31-19-10-20-33(35-22-11-21-34-32-16-4-7-25-40(32)52-49(34)35)47(31)48-50(38-23-12-28-43-45(38)36-17-5-8-26-41(36)56-43)53-55-54-51(48)39-24-13-29-44-46(39)37-18-6-9-27-42(37)57-44/h1-29,52H
InChIKeyVSXXIMIMXLOTNC-UHFFFAOYSA-N
MW730.83 g/mol
LogP13.64
Rot. Bonds5

About 1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole

1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole (PubChem CID 166134015) has the molecular formula C51H30N4O2 and a molecular weight of 730.83 g/mol. Its IUPAC name is 1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole.

Molecular Properties

Compound Name1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole
PubChem CID166134015
Molecular FormulaC51H30N4O2
Molecular Weight730.83 g/mol
Exact Mass730.24
IUPAC Name1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole
SMILESc1ccc(-c2cccc(-c3cccc4c3[nH]c3ccccc34)c2-c2c(-c3cccc4oc5ccccc5c34)nnnc2-c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C51H30N4O2/c1-2-14-30(15-3-1)31-19-10-20-33(35-22-11-21-34-32-16-4-7-25-40(32)52-49(34)35)47(31)48-50(38-23-12-28-43-45(38)36-17-5-8-26-41(36)56-43)53-55-54-51(48)39-24-13-29-44-46(39)37-18-6-9-27-42(37)57-44/h1-29,52H
InChIKeyVSXXIMIMXLOTNC-UHFFFAOYSA-N
XLogP13.64
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.83
LogP ≤ 513.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole
CID 166134969
1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole
CID 166134655
4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
CID 166134431
5-dibenzofuran-1-yl-4,6-diphenyltriazine
CID 175810934
4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine
CID 175594594
N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 166134940
4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
CID 166134711
9-(9H-carbazol-1-yl)-N,N-diphenyldibenzofuran-2-amine
CID 154697221
1-(1-dibenzofuran-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole
CID 166134395
2-(2-phenyl-9H-carbazol-1-yl)-1H-[1]benzofuro[2,3-g]indole
CID 166134224
4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 166133631
7-(9H-carbazol-1-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 154697177

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole?
The IUPAC name of 1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole (CID 166134015) is 1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole.
What is the SMILES notation for 1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole?
The canonical SMILES for 1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole is c1ccc(-c2cccc(-c3cccc4c3[nH]c3ccccc34)c2-c2c(-c3cccc4oc5ccccc5c34)nnnc2-c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of 1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole?
The InChIKey is VSXXIMIMXLOTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O2/c1-2-14-30(15-3-1)31-19-10-20-33(35-22-11-21-34-32-16-4-7-25-40(32)52-49(34)35)47(31)48-50(38-23-12-28-43-45(38)36-17-5-8-26-41(36)56-43)53-55-54-51(48)39-24-13-29-44-46(39)37-18-6-9-27-42(37)57-44/h1-29,52H.
What are the key properties of 1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole?
1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole has a molecular weight of 730.83 g/mol, XLogP of 13.64, 5 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]-3-phenylphenyl]-9H-carbazole is sourced from PubChem (CID 166134015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).