2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine

C49H31N3O2 — CID 170220392

IUPAC2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
SMILESC1=C(c2ccccc2)CCC(c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c34)n2)=C1
InChIInChI=1S/C49H31N3O2/c1-2-9-30(10-3-1)32-17-20-33(21-18-32)47-50-48(37-22-19-31-11-4-5-12-34(31)27-37)52-49(51-47)40-14-8-16-44-46(40)39-25-23-36(29-45(39)54-44)35-24-26-43-41(28-35)38-13-6-7-15-42(38)53-43/h1-17,19-20,22-29H,18,21H2
InChIKeyZOOCDWQKQGVXHB-UHFFFAOYSA-N
MW693.81 g/mol
LogP13.09
Rot. Bonds5

About 2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine

2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine (PubChem CID 170220392) has the molecular formula C49H31N3O2 and a molecular weight of 693.81 g/mol. Its IUPAC name is 2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
PubChem CID170220392
Molecular FormulaC49H31N3O2
Molecular Weight693.81 g/mol
Exact Mass693.24
IUPAC Name2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
SMILESC1=C(c2ccccc2)CCC(c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c34)n2)=C1
InChIInChI=1S/C49H31N3O2/c1-2-9-30(10-3-1)32-17-20-33(21-18-32)47-50-48(37-22-19-31-11-4-5-12-34(31)27-37)52-49(51-47)40-14-8-16-44-46(40)39-25-23-36(29-45(39)54-44)35-24-26-43-41(28-35)38-13-6-7-15-42(38)53-43/h1-17,19-20,22-29H,18,21H2
InChIKeyZOOCDWQKQGVXHB-UHFFFAOYSA-N
XLogP13.09
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.81
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(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-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742625
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-(9-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 165077353
2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166742269
2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156522936
2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 163570291
2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 156522941
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine
CID 170017927
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158453153
2-naphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
CID 170145254
2-naphthalen-2-yl-4-(7-phenanthren-3-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741117
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 166742927
2-dibenzofuran-1-yl-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174198496

Frequently Asked Questions

What is the IUPAC name of 2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine (CID 170220392) is 2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine is C1=C(c2ccccc2)CCC(c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c34)n2)=C1.
What is the InChIKey of 2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
The InChIKey is ZOOCDWQKQGVXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O2/c1-2-9-30(10-3-1)32-17-20-33(21-18-32)47-50-48(37-22-19-31-11-4-5-12-34(31)27-37)52-49(51-47)40-14-8-16-44-46(40)39-25-23-36(29-45(39)54-44)35-24-26-43-41(28-35)38-13-6-7-15-42(38)53-43/h1-17,19-20,22-29H,18,21H2.
What are the key properties of 2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine has a molecular weight of 693.81 g/mol, XLogP of 13.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine is sourced from PubChem (CID 170220392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).