2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine

C45H31N3O — CID 170226014

IUPAC2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c2c(oc3ccc(-c4ccc(-c5ccccc5)cc4)cc23)CC1
InChIInChI=1S/C45H31N3O/c1-4-11-30(12-5-1)32-19-21-34(22-20-32)37-27-28-40-39(29-37)42-38(17-10-18-41(42)49-40)45-47-43(35-15-8-3-9-16-35)46-44(48-45)36-25-23-33(24-26-36)31-13-6-2-7-14-31/h1-9,11-17,19-29H,10,18H2
InChIKeyQBDCGJVPLNEJNA-UHFFFAOYSA-N
MW629.76 g/mol
LogP11.33
Rot. Bonds6

About 2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine

2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 170226014) has the molecular formula C45H31N3O and a molecular weight of 629.76 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine
PubChem CID170226014
Molecular FormulaC45H31N3O
Molecular Weight629.76 g/mol
Exact Mass629.25
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c2c(oc3ccc(-c4ccc(-c5ccccc5)cc4)cc23)CC1
InChIInChI=1S/C45H31N3O/c1-4-11-30(12-5-1)32-19-21-34(22-20-32)37-27-28-40-39(29-37)42-38(17-10-18-41(42)49-40)45-47-43(35-15-8-3-9-16-35)46-44(48-45)36-25-23-33(24-26-36)31-13-6-2-7-14-31/h1-9,11-17,19-29H,10,18H2
InChIKeyQBDCGJVPLNEJNA-UHFFFAOYSA-N
XLogP11.33
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.76
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)-3,4-dihydrodibenzofuran-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-(3,4-dihydrodibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 167007462
2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-4-phenyl-6-(8-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 170228629
2-[8-(8-methyl-7,8-dihydronaphthalen-2-yl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170229357
2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 167007605
2-[7-[4-(2-methoxy-5,6-dihydronaphthalen-1-yl)phenyl]-3,4-dihydrodibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170143078
2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170221616
2-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-4-(7-naphtho[2,1-b][1]benzofuran-9-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170231123
2-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
3-phenyl-9-[9-(4-phenylquinazolin-2-yl)-6,7-dihydrodibenzofuran-3-yl]carbazole
CID 146334370

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine (CID 170226014) is 2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine is C1=C(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c2c(oc3ccc(-c4ccc(-c5ccccc5)cc4)cc23)CC1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is QBDCGJVPLNEJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3O/c1-4-11-30(12-5-1)32-19-21-34(22-20-32)37-27-28-40-39(29-37)42-38(17-10-18-41(42)49-40)45-47-43(35-15-8-3-9-16-35)46-44(48-45)36-25-23-33(24-26-36)31-13-6-2-7-14-31/h1-9,11-17,19-29H,10,18H2.
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine?
2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 629.76 g/mol, XLogP of 11.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 170226014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).