3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole

C51H30N4OS — CID 163643738

IUPAC3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccc6c7ccccc7n(-c7ccccc7)c6c45)nc(-c4ccc5sc6ccccc6c5c4)n3)c2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-12-31(13-4-1)32-14-11-15-33(28-32)49-52-50(34-23-27-46-41(29-34)38-19-8-10-21-45(38)57-46)54-51(53-49)35-22-24-40-44(30-35)56-43-26-25-39-37-18-7-9-20-42(37)55(48(39)47(40)43)36-16-5-2-6-17-36/h1-30H
InChIKeyBDFZYNRIJDQZDM-UHFFFAOYSA-N
MW746.90 g/mol
LogP13.90
Rot. Bonds5

About 3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole

3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole (PubChem CID 163643738) has the molecular formula C51H30N4OS and a molecular weight of 746.90 g/mol. Its IUPAC name is 3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
PubChem CID163643738
Molecular FormulaC51H30N4OS
Molecular Weight746.90 g/mol
Exact Mass746.21
IUPAC Name3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccc6c7ccccc7n(-c7ccccc7)c6c45)nc(-c4ccc5sc6ccccc6c5c4)n3)c2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-12-31(13-4-1)32-14-11-15-33(28-32)49-52-50(34-23-27-46-41(29-34)38-19-8-10-21-45(38)57-46)54-51(53-49)35-22-24-40-44(30-35)56-43-26-25-39-37-18-7-9-20-42(37)55(48(39)47(40)43)36-16-5-2-6-17-36/h1-30H
InChIKeyBDFZYNRIJDQZDM-UHFFFAOYSA-N
XLogP13.90
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.90
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole (CID 163643738) is 3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccc6c7ccccc7n(-c7ccccc7)c6c45)nc(-c4ccc5sc6ccccc6c5c4)n3)c2)cc1.
What is the InChIKey of 3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole?
The InChIKey is BDFZYNRIJDQZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4OS/c1-3-12-31(13-4-1)32-14-11-15-33(28-32)49-52-50(34-23-27-46-41(29-34)38-19-8-10-21-45(38)57-46)54-51(53-49)35-22-24-40-44(30-35)56-43-26-25-39-37-18-7-9-20-42(37)55(48(39)47(40)43)36-16-5-2-6-17-36/h1-30H.
What are the key properties of 3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole?
3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole has a molecular weight of 746.90 g/mol, XLogP of 13.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 163643738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).