1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzothiophen-3-ylbenzimidazole

C40H23N5OS — CID 171812888

IUPAC1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzothiophen-3-ylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c(-c4ccc5c(c4)sc4ccccc45)nc4ccccc43)n2)cc1
InChIInChI=1S/C40H23N5OS/c1-2-10-24(11-3-1)37-42-38(25-18-20-28-27-12-4-8-16-33(27)46-34(28)22-25)44-40(43-37)45-32-15-7-6-14-31(32)41-39(45)26-19-21-30-29-13-5-9-17-35(29)47-36(30)23-26/h1-23H
InChIKeyQBUXULLHBCDNMO-UHFFFAOYSA-N
MW621.73 g/mol
LogP10.48
Rot. Bonds4

About 1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzothiophen-3-ylbenzimidazole

1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzothiophen-3-ylbenzimidazole (PubChem CID 171812888) has the molecular formula C40H23N5OS and a molecular weight of 621.73 g/mol. Its IUPAC name is 1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzothiophen-3-ylbenzimidazole.

Molecular Properties

Compound Name1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzothiophen-3-ylbenzimidazole
PubChem CID171812888
Molecular FormulaC40H23N5OS
Molecular Weight621.73 g/mol
Exact Mass621.16
IUPAC Name1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzothiophen-3-ylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c(-c4ccc5c(c4)sc4ccccc45)nc4ccccc43)n2)cc1
InChIInChI=1S/C40H23N5OS/c1-2-10-24(11-3-1)37-42-38(25-18-20-28-27-12-4-8-16-33(27)46-34(28)22-25)44-40(43-37)45-32-15-7-6-14-31(32)41-39(45)26-19-21-30-29-13-5-9-17-35(29)47-36(30)23-26/h1-23H
InChIKeyQBUXULLHBCDNMO-UHFFFAOYSA-N
XLogP10.48
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.73
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzothiophen-3-ylbenzimidazole 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

2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-1-phenylbenzimidazole
CID 147371155
2-dibenzofuran-3-yl-4-[4-(3,5-diphenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 162122962
2-(4-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850276
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;2-phenyl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165082275
2-(3-dibenzofuran-3-yl-5-phenylphenyl)-4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146640504
9-[3-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176831517
9-[4-(7-dibenzothiophen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952562
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole;2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole;2-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 158170833
2-dibenzofuran-3-yl-4-phenyl-6-[7-(3-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 171414774
9-dibenzofuran-3-yl-23-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene
CID 171044217
2-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 147448263
2-dibenzofuran-3-yl-4-[8-(2-dibenzothiophen-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 170192686

Frequently Asked Questions

What is the IUPAC name of 1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzothiophen-3-ylbenzimidazole?
The IUPAC name of 1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzothiophen-3-ylbenzimidazole (CID 171812888) is 1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzothiophen-3-ylbenzimidazole.
What is the SMILES notation for 1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzothiophen-3-ylbenzimidazole?
The canonical SMILES for 1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzothiophen-3-ylbenzimidazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c(-c4ccc5c(c4)sc4ccccc45)nc4ccccc43)n2)cc1.
What is the InChIKey of 1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzothiophen-3-ylbenzimidazole?
The InChIKey is QBUXULLHBCDNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N5OS/c1-2-10-24(11-3-1)37-42-38(25-18-20-28-27-12-4-8-16-33(27)46-34(28)22-25)44-40(43-37)45-32-15-7-6-14-31(32)41-39(45)26-19-21-30-29-13-5-9-17-35(29)47-36(30)23-26/h1-23H.
What are the key properties of 1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzothiophen-3-ylbenzimidazole?
1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzothiophen-3-ylbenzimidazole has a molecular weight of 621.73 g/mol, XLogP of 10.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzothiophen-3-ylbenzimidazole is sourced from PubChem (CID 171812888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).