2-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-[4-(5-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine

C56H39N3O — CID 170219757

IUPAC2-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-[4-(5-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(c2ccccc2)C=CC(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4cccc5c(-c6ccccc6)cccc45)c4oc5ccccc5c34)n2)=CC1
InChIInChI=1S/C56H39N3O/c1-56(42-19-9-4-10-20-42)35-33-41(34-36-56)54-57-53(40-29-27-38(28-30-40)37-15-5-2-6-16-37)58-55(59-54)49-32-31-47(52-51(49)48-21-11-12-26-50(48)60-52)46-25-14-23-44-43(22-13-24-45(44)46)39-17-7-3-8-18-39/h2-35H,36H2,1H3
InChIKeyQTHLACLSOQJNKK-UHFFFAOYSA-N
MW769.95 g/mol
LogP14.56
Rot. Bonds7

About 2-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-[4-(5-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine

2-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-[4-(5-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 170219757) has the molecular formula C56H39N3O and a molecular weight of 769.95 g/mol. Its IUPAC name is 2-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-[4-(5-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-[4-(5-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID170219757
Molecular FormulaC56H39N3O
Molecular Weight769.95 g/mol
Exact Mass769.31
IUPAC Name2-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-[4-(5-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(c2ccccc2)C=CC(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4cccc5c(-c6ccccc6)cccc45)c4oc5ccccc5c34)n2)=CC1
InChIInChI=1S/C56H39N3O/c1-56(42-19-9-4-10-20-42)35-33-41(34-36-56)54-57-53(40-29-27-38(28-30-40)37-15-5-2-6-16-37)58-55(59-54)49-32-31-47(52-51(49)48-21-11-12-26-50(48)60-52)46-25-14-23-44-43(22-13-24-45(44)46)39-17-7-3-8-18-39/h2-35H,36H2,1H3
InChIKeyQTHLACLSOQJNKK-UHFFFAOYSA-N
XLogP14.56
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.95
LogP ≤ 514.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-[4-(5-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-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-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742174
2,4-diphenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142491264
2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741910
2-dibenzofuran-1-yl-4-(4-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 167007919
2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808678
2-dibenzofuran-4-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078421
2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 159529301
2-phenyl-4-(4-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155477197
2-(4-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166743608
2,4-diphenyl-6-[6-(4-phenyldibenzofuran-1-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378330
2-dibenzofuran-1-yl-4-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853965
2-(4-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166739181

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-[4-(5-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-[4-(5-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 170219757) is 2-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-[4-(5-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-[4-(5-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-[4-(5-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine is CC1(c2ccccc2)C=CC(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4cccc5c(-c6ccccc6)cccc45)c4oc5ccccc5c34)n2)=CC1.
What is the InChIKey of 2-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-[4-(5-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is QTHLACLSOQJNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N3O/c1-56(42-19-9-4-10-20-42)35-33-41(34-36-56)54-57-53(40-29-27-38(28-30-40)37-15-5-2-6-16-37)58-55(59-54)49-32-31-47(52-51(49)48-21-11-12-26-50(48)60-52)46-25-14-23-44-43(22-13-24-45(44)46)39-17-7-3-8-18-39/h2-35H,36H2,1H3.
What are the key properties of 2-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-[4-(5-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-[4-(5-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 769.95 g/mol, XLogP of 14.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-[4-(5-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170219757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).