tris(dibenzofuran);4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;isoquinoline;2-pyridin-2-ylpyridine;quinazoline;quinoline;1,3,5-triazine

C115H85N15O3 — CID 160850557

IUPACtris(dibenzofuran);4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;isoquinoline;2-pyridin-2-ylpyridine;quinazoline;quinoline;1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)ncn2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ncnc(-c3ccccc3)n2)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ncncn1
InChIInChI=1S/C16H12N2.C15H11N3.3C12H8O.C10H8N2.3C9H7N.C8H6N2.C3H3N3/c1-3-7-13(8-4-1)15-11-16(18-12-17-15)14-9-5-2-6-10-14;1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;1-4-2-6-3-5-1/h1-12H;1-11H;3*1-8H;1-8H;3*1-7H;1-6H;1-3H
InChIKeySJEXXZZCHGVDIZ-UHFFFAOYSA-N
MW1725.05 g/mol
LogP28.12
Rot. Bonds5

About tris(dibenzofuran);4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;isoquinoline;2-pyridin-2-ylpyridine;quinazoline;quinoline;1,3,5-triazine

tris(dibenzofuran);4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;isoquinoline;2-pyridin-2-ylpyridine;quinazoline;quinoline;1,3,5-triazine (PubChem CID 160850557) has the molecular formula C115H85N15O3 and a molecular weight of 1725.05 g/mol. Its IUPAC name is tris(dibenzofuran);4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;isoquinoline;2-pyridin-2-ylpyridine;quinazoline;quinoline;1,3,5-triazine.

Molecular Properties

Compound Nametris(dibenzofuran);4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;isoquinoline;2-pyridin-2-ylpyridine;quinazoline;quinoline;1,3,5-triazine
PubChem CID160850557
Molecular FormulaC115H85N15O3
Molecular Weight1725.05 g/mol
Exact Mass1723.70
IUPAC Nametris(dibenzofuran);4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;isoquinoline;2-pyridin-2-ylpyridine;quinazoline;quinoline;1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)ncn2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ncnc(-c3ccccc3)n2)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ncncn1
InChIInChI=1S/C16H12N2.C15H11N3.3C12H8O.C10H8N2.3C9H7N.C8H6N2.C3H3N3/c1-3-7-13(8-4-1)15-11-16(18-12-17-15)14-9-5-2-6-10-14;1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;1-4-2-6-3-5-1/h1-12H;1-11H;3*1-8H;1-8H;3*1-7H;1-6H;1-3H
InChIKeySJEXXZZCHGVDIZ-UHFFFAOYSA-N
XLogP28.12
TPSA232.77 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds5
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001725.05
LogP ≤ 528.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze tris(dibenzofuran);4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;isoquinoline;2-pyridin-2-ylpyridine;quinazoline;quinoline;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

dibenzofuran;dibenzothiophene;2,6-diphenylpyridine;ethane;isoquinoline;5-methyl-1,10-phenanthroline;1,10-phenanthroline;quinoline
CID 162161049
2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinazoline;2-[3-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine
CID 159680712
4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine
CID 130262632
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyrimidin-5-ylphenyl)pyrimidine;2-[4-[2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]quinazoline;2-[3-[2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine
CID 160522692
6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline;10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline;10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]quinoline
CID 167568795
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130262495
ethane;isoquinoline;hexakis(2-methylpropane);2-methyl-1-propan-2-ylisoindole;naphthalene;quinazoline;quinoline
CID 160955429
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(3-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 158843888
8-dibenzofuran-4-yl-6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline;8-dibenzofuran-4-yl-10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline;8-dibenzofuran-4-yl-10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]quinoline
CID 167558776
4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;bis(2-phenylpyrimidine);bis(pyridine);pyrimidine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine
CID 167595892
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142353224
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-(3,5-dipyridin-2-ylphenyl)-2-phenylpyrimidine
CID 171585229

Frequently Asked Questions

What is the IUPAC name of tris(dibenzofuran);4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;isoquinoline;2-pyridin-2-ylpyridine;quinazoline;quinoline;1,3,5-triazine?
The IUPAC name of tris(dibenzofuran);4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;isoquinoline;2-pyridin-2-ylpyridine;quinazoline;quinoline;1,3,5-triazine (CID 160850557) is tris(dibenzofuran);4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;isoquinoline;2-pyridin-2-ylpyridine;quinazoline;quinoline;1,3,5-triazine.
What is the SMILES notation for tris(dibenzofuran);4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;isoquinoline;2-pyridin-2-ylpyridine;quinazoline;quinoline;1,3,5-triazine?
The canonical SMILES for tris(dibenzofuran);4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;isoquinoline;2-pyridin-2-ylpyridine;quinazoline;quinoline;1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)ncn2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ncnc(-c3ccccc3)n2)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ncncn1.
What is the InChIKey of tris(dibenzofuran);4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;isoquinoline;2-pyridin-2-ylpyridine;quinazoline;quinoline;1,3,5-triazine?
The InChIKey is SJEXXZZCHGVDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2.C15H11N3.3C12H8O.C10H8N2.3C9H7N.C8H6N2.C3H3N3/c1-3-7-13(8-4-1)15-11-16(18-12-17-15)14-9-5-2-6-10-14;1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;1-4-2-6-3-5-1/h1-12H;1-11H;3*1-8H;1-8H;3*1-7H;1-6H;1-3H.
What are the key properties of tris(dibenzofuran);4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;isoquinoline;2-pyridin-2-ylpyridine;quinazoline;quinoline;1,3,5-triazine?
tris(dibenzofuran);4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;isoquinoline;2-pyridin-2-ylpyridine;quinazoline;quinoline;1,3,5-triazine has a molecular weight of 1725.05 g/mol, XLogP of 28.12, 5 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dibenzofuran);4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;isoquinoline;2-pyridin-2-ylpyridine;quinazoline;quinoline;1,3,5-triazine is sourced from PubChem (CID 160850557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).