5-[3-[6-(6-dibenzofuran-1-ylnaphthalen-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline

C151H89N9O4 — CID 163537669

IUPAC5-[3-[6-(6-dibenzofuran-1-ylnaphthalen-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5c6ccccc6oc5c5ccccc45)cc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4nc5c6ccccc6oc5c5ccccc45)c3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4nc5c6ccccc6oc5c5ccccc45)c3)cc(-c3ccc4cc(-c5cccc6oc7ccccc7c56)ccc4c3)n2)cc1
InChIInChI=1S/C53H31N3O2.2C49H29N3O/c1-2-12-32(13-3-1)53-54-44(36-14-10-15-38(30-36)50-40-16-4-5-17-41(40)52-51(56-50)43-19-7-9-22-47(43)58-52)31-45(55-53)37-27-25-33-28-35(26-24-34(33)29-37)39-20-11-23-48-49(39)42-18-6-8-21-46(42)57-48;1-2-13-30(14-3-1)43-29-44(51-49(50-43)33-25-26-38-36-19-5-4-17-34(36)35-18-6-7-20-37(35)42(38)28-33)31-15-12-16-32(27-31)46-39-21-8-9-22-40(39)48-47(52-46)41-23-10-11-24-45(41)53-48;1-2-12-30(13-3-1)43-29-44(51-49(50-43)33-26-27-38-36-16-5-4-14-34(36)35-15-6-7-17-37(35)42(38)28-33)31-22-24-32(25-23-31)46-39-18-8-9-19-40(39)48-47(52-46)41-20-10-11-21-45(41)53-48/h1-31H;2*1-29H
InChIKeyDYJTYYNHAIQRQG-UHFFFAOYSA-N
MW2093.43 g/mol
LogP40.42
Rot. Bonds13

About 5-[3-[6-(6-dibenzofuran-1-ylnaphthalen-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline

5-[3-[6-(6-dibenzofuran-1-ylnaphthalen-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline (PubChem CID 163537669) has the molecular formula C151H89N9O4 and a molecular weight of 2093.43 g/mol. Its IUPAC name is 5-[3-[6-(6-dibenzofuran-1-ylnaphthalen-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline.

Molecular Properties

Compound Name5-[3-[6-(6-dibenzofuran-1-ylnaphthalen-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline
PubChem CID163537669
Molecular FormulaC151H89N9O4
Molecular Weight2093.43 g/mol
Exact Mass2091.70
IUPAC Name5-[3-[6-(6-dibenzofuran-1-ylnaphthalen-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5c6ccccc6oc5c5ccccc45)cc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4nc5c6ccccc6oc5c5ccccc45)c3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4nc5c6ccccc6oc5c5ccccc45)c3)cc(-c3ccc4cc(-c5cccc6oc7ccccc7c56)ccc4c3)n2)cc1
InChIInChI=1S/C53H31N3O2.2C49H29N3O/c1-2-12-32(13-3-1)53-54-44(36-14-10-15-38(30-36)50-40-16-4-5-17-41(40)52-51(56-50)43-19-7-9-22-47(43)58-52)31-45(55-53)37-27-25-33-28-35(26-24-34(33)29-37)39-20-11-23-48-49(39)42-18-6-8-21-46(42)57-48;1-2-13-30(14-3-1)43-29-44(51-49(50-43)33-25-26-38-36-19-5-4-17-34(36)35-18-6-7-20-37(35)42(38)28-33)31-15-12-16-32(27-31)46-39-21-8-9-22-40(39)48-47(52-46)41-23-10-11-24-45(41)53-48;1-2-12-30(13-3-1)43-29-44(51-49(50-43)33-26-27-38-36-16-5-4-14-34(36)35-15-6-7-17-37(35)42(38)28-33)31-22-24-32(25-23-31)46-39-18-8-9-19-40(39)48-47(52-46)41-20-10-11-21-45(41)53-48/h1-31H;2*1-29H
InChIKeyDYJTYYNHAIQRQG-UHFFFAOYSA-N
XLogP40.42
TPSA168.57 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002093.43
LogP ≤ 540.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[3-[6-(6-dibenzofuran-1-ylnaphthalen-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline 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

10-[4-[4-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]-6-(6-dibenzofuran-1-ylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]-5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
CID 155018390
5-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline
CID 163518307
2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164835316
2,4-diphenyl-6-[3-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]pyrimidine
CID 164834788
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[2-phenyl-6-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]-1,3,5-triazine
CID 163761534
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
4,6-diphenyl-2-[4-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164835133
2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 159915324
2-[10-(3-dibenzofuran-1-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925668
4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171584041
4-(6-dibenzofuran-1-yldibenzofuran-2-yl)-2,6-diphenylpyrimidine
CID 166952428
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-(6-dibenzofuran-1-ylnaphthalen-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline?
The IUPAC name of 5-[3-[6-(6-dibenzofuran-1-ylnaphthalen-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline (CID 163537669) is 5-[3-[6-(6-dibenzofuran-1-ylnaphthalen-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline.
What is the SMILES notation for 5-[3-[6-(6-dibenzofuran-1-ylnaphthalen-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline?
The canonical SMILES for 5-[3-[6-(6-dibenzofuran-1-ylnaphthalen-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline is c1ccc(-c2cc(-c3ccc(-c4nc5c6ccccc6oc5c5ccccc45)cc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4nc5c6ccccc6oc5c5ccccc45)c3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4nc5c6ccccc6oc5c5ccccc45)c3)cc(-c3ccc4cc(-c5cccc6oc7ccccc7c56)ccc4c3)n2)cc1.
What is the InChIKey of 5-[3-[6-(6-dibenzofuran-1-ylnaphthalen-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline?
The InChIKey is DYJTYYNHAIQRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N3O2.2C49H29N3O/c1-2-12-32(13-3-1)53-54-44(36-14-10-15-38(30-36)50-40-16-4-5-17-41(40)52-51(56-50)43-19-7-9-22-47(43)58-52)31-45(55-53)37-27-25-33-28-35(26-24-34(33)29-37)39-20-11-23-48-49(39)42-18-6-8-21-46(42)57-48;1-2-13-30(14-3-1)43-29-44(51-49(50-43)33-25-26-38-36-19-5-4-17-34(36)35-18-6-7-20-37(35)42(38)28-33)31-15-12-16-32(27-31)46-39-21-8-9-22-40(39)48-47(52-46)41-23-10-11-24-45(41)53-48;1-2-12-30(13-3-1)43-29-44(51-49(50-43)33-26-27-38-36-16-5-4-14-34(36)35-15-6-7-17-37(35)42(38)28-33)31-22-24-32(25-23-31)46-39-18-8-9-19-40(39)48-47(52-46)41-20-10-11-21-45(41)53-48/h1-31H;2*1-29H.
What are the key properties of 5-[3-[6-(6-dibenzofuran-1-ylnaphthalen-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline?
5-[3-[6-(6-dibenzofuran-1-ylnaphthalen-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline has a molecular weight of 2093.43 g/mol, XLogP of 40.42, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-(6-dibenzofuran-1-ylnaphthalen-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline is sourced from PubChem (CID 163537669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).