4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

C49H29N5O2 — CID 153309273

IUPAC4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-c6ccc(-c7nc(-c8ccccc8)nc8c7oc7ccccc78)cc6)ccc5c34)n2)cc1
InChIInChI=1S/C49H29N5O2/c1-4-13-32(14-5-1)46-50-43(45-44(51-46)37-19-10-11-21-39(37)56-45)31-25-23-30(24-26-31)35-27-28-36-41(29-35)55-40-22-12-20-38(42(36)40)49-53-47(33-15-6-2-7-16-33)52-48(54-49)34-17-8-3-9-18-34/h1-29H
InChIKeyXAFBRDRQLURVOU-UHFFFAOYSA-N
MW719.80 g/mol
LogP12.46
Rot. Bonds6

About 4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 153309273) has the molecular formula C49H29N5O2 and a molecular weight of 719.80 g/mol. Its IUPAC name is 4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID153309273
Molecular FormulaC49H29N5O2
Molecular Weight719.80 g/mol
Exact Mass719.23
IUPAC Name4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-c6ccc(-c7nc(-c8ccccc8)nc8c7oc7ccccc78)cc6)ccc5c34)n2)cc1
InChIInChI=1S/C49H29N5O2/c1-4-13-32(14-5-1)46-50-43(45-44(51-46)37-19-10-11-21-39(37)56-45)31-25-23-30(24-26-31)35-27-28-36-41(29-35)55-40-22-12-20-38(42(36)40)49-53-47(33-15-6-2-7-16-33)52-48(54-49)34-17-8-3-9-18-34/h1-29H
InChIKeyXAFBRDRQLURVOU-UHFFFAOYSA-N
XLogP12.46
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.80
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine 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

8-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 170947083
4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978316
2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 146962855
2-(4-naphthalen-2-ylphenyl)-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 177129892
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 155050360
2-[4-[6-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 166673424
4-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 142519265
2-(2-phenylphenyl)-4-(4-phenylphenyl)-7-[3-[3-[4-(2-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 123431759
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 153309581
2-dibenzofuran-4-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741541
4-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 146952352
4-(7-phenanthren-9-yldibenzofuran-1-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 177129890

Frequently Asked Questions

What is the IUPAC name of 4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 153309273) is 4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-c6ccc(-c7nc(-c8ccccc8)nc8c7oc7ccccc78)cc6)ccc5c34)n2)cc1.
What is the InChIKey of 4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is XAFBRDRQLURVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N5O2/c1-4-13-32(14-5-1)46-50-43(45-44(51-46)37-19-10-11-21-39(37)56-45)31-25-23-30(24-26-31)35-27-28-36-41(29-35)55-40-22-12-20-38(42(36)40)49-53-47(33-15-6-2-7-16-33)52-48(54-49)34-17-8-3-9-18-34/h1-29H.
What are the key properties of 4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 719.80 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 153309273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).