7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-quinazolin-2-yl-[1]benzofuro[2,3-d]pyrimidine

C33H19N7O — CID 168746300

IUPAC7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-quinazolin-2-yl-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ncnc(-c5ncc6ccccc6n5)c34)n2)cc1
InChIInChI=1S/C33H19N7O/c1-3-9-20(10-4-1)29-38-30(21-11-5-2-6-12-21)40-31(39-29)22-15-16-24-26(17-22)41-33-27(24)28(35-19-36-33)32-34-18-23-13-7-8-14-25(23)37-32/h1-19H
InChIKeyIVXVBIWVMRYCQE-UHFFFAOYSA-N
MW529.56 g/mol
LogP7.17
Rot. Bonds4

About 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-quinazolin-2-yl-[1]benzofuro[2,3-d]pyrimidine

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-quinazolin-2-yl-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 168746300) has the molecular formula C33H19N7O and a molecular weight of 529.56 g/mol. Its IUPAC name is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-quinazolin-2-yl-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-quinazolin-2-yl-[1]benzofuro[2,3-d]pyrimidine
PubChem CID168746300
Molecular FormulaC33H19N7O
Molecular Weight529.56 g/mol
Exact Mass529.17
IUPAC Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-quinazolin-2-yl-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ncnc(-c5ncc6ccccc6n5)c34)n2)cc1
InChIInChI=1S/C33H19N7O/c1-3-9-20(10-4-1)29-38-30(21-11-5-2-6-12-21)40-31(39-29)22-15-16-24-26(17-22)41-33-27(24)28(35-19-36-33)32-34-18-23-13-7-8-14-25(23)37-32/h1-19H
InChIKeyIVXVBIWVMRYCQE-UHFFFAOYSA-N
XLogP7.17
TPSA103.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.56
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-quinazolin-2-yl-[1]benzofuro[2,3-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

7-dibenzofuran-2-yl-4-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 171580766
7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-[1]benzofuro[2,3-b]pyridine
CID 164798196
2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 166952902
2-chloro-4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 147220347
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 176587967
17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene
CID 176647114
4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-[1]benzofuro[2,3-b]pyridine
CID 168785558
2-(18-bromo-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 146664441
7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 166802118
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 142491219
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-quinazolin-2-yl-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-quinazolin-2-yl-[1]benzofuro[2,3-d]pyrimidine (CID 168746300) is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-quinazolin-2-yl-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-quinazolin-2-yl-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-quinazolin-2-yl-[1]benzofuro[2,3-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ncnc(-c5ncc6ccccc6n5)c34)n2)cc1.
What is the InChIKey of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-quinazolin-2-yl-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is IVXVBIWVMRYCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19N7O/c1-3-9-20(10-4-1)29-38-30(21-11-5-2-6-12-21)40-31(39-29)22-15-16-24-26(17-22)41-33-27(24)28(35-19-36-33)32-34-18-23-13-7-8-14-25(23)37-32/h1-19H.
What are the key properties of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-quinazolin-2-yl-[1]benzofuro[2,3-d]pyrimidine?
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-quinazolin-2-yl-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 529.56 g/mol, XLogP of 7.17, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-quinazolin-2-yl-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 168746300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).