2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(5-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine

C50H33N3OS — CID 163730867

IUPAC2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(5-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
SMILESCC1CC(c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cc(-c4cccc5c4sc4ccccc45)cc4ccccc34)n2)=CC=C1c1ccccc1
InChIInChI=1S/C50H33N3OS/c1-30-26-33(22-24-36(30)31-12-3-2-4-13-31)48-51-49(34-23-25-40-39-16-7-9-20-44(39)54-45(40)29-34)53-50(52-48)43-28-35(27-32-14-5-6-15-37(32)43)38-18-11-19-42-41-17-8-10-21-46(41)55-47(38)42/h2-25,27-30H,26H2,1H3
InChIKeyKZKWXGFMCBFFCP-UHFFFAOYSA-N
MW723.90 g/mol
LogP13.80
Rot. Bonds5

About 2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(5-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(5-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine (PubChem CID 163730867) has the molecular formula C50H33N3OS and a molecular weight of 723.90 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(5-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(5-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
PubChem CID163730867
Molecular FormulaC50H33N3OS
Molecular Weight723.90 g/mol
Exact Mass723.23
IUPAC Name2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(5-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
SMILESCC1CC(c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cc(-c4cccc5c4sc4ccccc45)cc4ccccc34)n2)=CC=C1c1ccccc1
InChIInChI=1S/C50H33N3OS/c1-30-26-33(22-24-36(30)31-12-3-2-4-13-31)48-51-49(34-23-25-40-39-16-7-9-20-44(39)54-45(40)29-34)53-50(52-48)43-28-35(27-32-14-5-6-15-37(32)43)38-18-11-19-42-41-17-8-10-21-46(41)55-47(38)42/h2-25,27-30H,26H2,1H3
InChIKeyKZKWXGFMCBFFCP-UHFFFAOYSA-N
XLogP13.80
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.90
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(5-methyl-4-phenylcyclohexa-1,3-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-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-naphthalen-1-yl-1,3,5-triazine
CID 139404337
2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139404336
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163842372
2-dibenzofuran-3-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 154626584
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 167349426
2-dibenzothiophen-4-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)-6-phenyl-1,3,5-triazine
CID 146431796
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445744
2-dibenzofuran-3-yl-4-[3-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-4-yl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 153494941
2-(8-dibenzofuran-3-yldibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 162780089
2-dibenzofuran-3-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166952304
2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 167346712

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(5-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(5-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine (CID 163730867) is 2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(5-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(5-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(5-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine is CC1CC(c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cc(-c4cccc5c4sc4ccccc45)cc4ccccc34)n2)=CC=C1c1ccccc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(5-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
The InChIKey is KZKWXGFMCBFFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3OS/c1-30-26-33(22-24-36(30)31-12-3-2-4-13-31)48-51-49(34-23-25-40-39-16-7-9-20-44(39)54-45(40)29-34)53-50(52-48)43-28-35(27-32-14-5-6-15-37(32)43)38-18-11-19-42-41-17-8-10-21-46(41)55-47(38)42/h2-25,27-30H,26H2,1H3.
What are the key properties of 2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(5-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(5-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine has a molecular weight of 723.90 g/mol, XLogP of 13.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(5-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine is sourced from PubChem (CID 163730867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).