2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine

C36H25N3OS — CID 146183045

IUPAC2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
SMILESCC1C=C(c2nc(-c3ccc(-c4cc5ccccc5o4)cc3)nc(-c3cccc4c3sc3ccccc34)n2)C=CC1
InChIInChI=1S/C36H25N3OS/c1-22-8-6-10-26(20-22)35-37-34(24-18-16-23(17-19-24)31-21-25-9-2-4-14-30(25)40-31)38-36(39-35)29-13-7-12-28-27-11-3-5-15-32(27)41-33(28)29/h2-7,9-22H,8H2,1H3
InChIKeyFWOOHCVMTSDVHP-UHFFFAOYSA-N
MW547.68 g/mol
LogP9.97
Rot. Bonds4

About 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine

2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine (PubChem CID 146183045) has the molecular formula C36H25N3OS and a molecular weight of 547.68 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
PubChem CID146183045
Molecular FormulaC36H25N3OS
Molecular Weight547.68 g/mol
Exact Mass547.17
IUPAC Name2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
SMILESCC1C=C(c2nc(-c3ccc(-c4cc5ccccc5o4)cc3)nc(-c3cccc4c3sc3ccccc34)n2)C=CC1
InChIInChI=1S/C36H25N3OS/c1-22-8-6-10-26(20-22)35-37-34(24-18-16-23(17-19-24)31-21-25-9-2-4-14-30(25)40-31)38-36(39-35)29-13-7-12-28-27-11-3-5-15-32(27)41-33(28)29/h2-7,9-22H,8H2,1H3
InChIKeyFWOOHCVMTSDVHP-UHFFFAOYSA-N
XLogP9.97
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.68
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine 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-dibenzothiophen-4-yl-4-[2-(3-methylcyclohexa-1,5-dien-1-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139441939
2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 158471795
2-[8-(3-dibenzothiophen-4-ylcyclohexa-2,4-dien-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 167201100
2-(4-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166743049
2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-2-yl)-6-dibenzothiophen-4-yl-1,3,5-triazine
CID 167182673
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 163799019
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743482
2-dibenzothiophen-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952521
2-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 163629155
2-chrysen-1-yl-4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazine
CID 170131910
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine (CID 146183045) is 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine is CC1C=C(c2nc(-c3ccc(-c4cc5ccccc5o4)cc3)nc(-c3cccc4c3sc3ccccc34)n2)C=CC1.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine?
The InChIKey is FWOOHCVMTSDVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3OS/c1-22-8-6-10-26(20-22)35-37-34(24-18-16-23(17-19-24)31-21-25-9-2-4-14-30(25)40-31)38-36(39-35)29-13-7-12-28-27-11-3-5-15-32(27)41-33(28)29/h2-7,9-22H,8H2,1H3.
What are the key properties of 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine?
2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine has a molecular weight of 547.68 g/mol, XLogP of 9.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine is sourced from PubChem (CID 146183045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).