3-(4-dibenzofuran-4-ylphenyl)-6-[5-[2-[3-(4-dibenzofuran-4-ylphenyl)-[1,2,4]triazolo[3,4-a]isoquinolin-9-yl]phenyl]naphthalen-2-yl]-[1,2,4]triazolo[3,4-a]isoquinoline

C72H42N6O2 — CID 123748371

IUPAC3-(4-dibenzofuran-4-ylphenyl)-6-[5-[2-[3-(4-dibenzofuran-4-ylphenyl)-[1,2,4]triazolo[3,4-a]isoquinolin-9-yl]phenyl]naphthalen-2-yl]-[1,2,4]triazolo[3,4-a]isoquinoline
SMILESc1ccc(-c2cccc3cc(-c4cn5c(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)nnc5c5ccccc45)ccc23)c(-c2ccc3ccn4c(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)nnc4c3c2)c1
InChIInChI=1S/C72H42N6O2/c1-2-14-55(51(13-1)50-35-30-45-38-39-77-69(73-76-72(77)63(45)41-50)46-31-26-43(27-32-46)53-19-10-22-60-58-16-5-7-24-65(58)79-67(53)60)56-21-9-12-48-40-49(36-37-52(48)56)64-42-78-70(74-75-71(78)62-18-4-3-15-57(62)64)47-33-28-44(29-34-47)54-20-11-23-61-59-17-6-8-25-66(59)80-68(54)61/h1-42H
InChIKeyMWJXXRFAOBLHBA-UHFFFAOYSA-N
MW1023.17 g/mol
LogP18.70
Rot. Bonds7

About 3-(4-dibenzofuran-4-ylphenyl)-6-[5-[2-[3-(4-dibenzofuran-4-ylphenyl)-[1,2,4]triazolo[3,4-a]isoquinolin-9-yl]phenyl]naphthalen-2-yl]-[1,2,4]triazolo[3,4-a]isoquinoline

3-(4-dibenzofuran-4-ylphenyl)-6-[5-[2-[3-(4-dibenzofuran-4-ylphenyl)-[1,2,4]triazolo[3,4-a]isoquinolin-9-yl]phenyl]naphthalen-2-yl]-[1,2,4]triazolo[3,4-a]isoquinoline (PubChem CID 123748371) has the molecular formula C72H42N6O2 and a molecular weight of 1023.17 g/mol. Its IUPAC name is 3-(4-dibenzofuran-4-ylphenyl)-6-[5-[2-[3-(4-dibenzofuran-4-ylphenyl)-[1,2,4]triazolo[3,4-a]isoquinolin-9-yl]phenyl]naphthalen-2-yl]-[1,2,4]triazolo[3,4-a]isoquinoline.

Molecular Properties

Compound Name3-(4-dibenzofuran-4-ylphenyl)-6-[5-[2-[3-(4-dibenzofuran-4-ylphenyl)-[1,2,4]triazolo[3,4-a]isoquinolin-9-yl]phenyl]naphthalen-2-yl]-[1,2,4]triazolo[3,4-a]isoquinoline
PubChem CID123748371
Molecular FormulaC72H42N6O2
Molecular Weight1023.17 g/mol
Exact Mass1022.34
IUPAC Name3-(4-dibenzofuran-4-ylphenyl)-6-[5-[2-[3-(4-dibenzofuran-4-ylphenyl)-[1,2,4]triazolo[3,4-a]isoquinolin-9-yl]phenyl]naphthalen-2-yl]-[1,2,4]triazolo[3,4-a]isoquinoline
SMILESc1ccc(-c2cccc3cc(-c4cn5c(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)nnc5c5ccccc45)ccc23)c(-c2ccc3ccn4c(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)nnc4c3c2)c1
InChIInChI=1S/C72H42N6O2/c1-2-14-55(51(13-1)50-35-30-45-38-39-77-69(73-76-72(77)63(45)41-50)46-31-26-43(27-32-46)53-19-10-22-60-58-16-5-7-24-65(58)79-67(53)60)56-21-9-12-48-40-49(36-37-52(48)56)64-42-78-70(74-75-71(78)62-18-4-3-15-57(62)64)47-33-28-44(29-34-47)54-20-11-23-61-59-17-6-8-25-66(59)80-68(54)61/h1-42H
InChIKeyMWJXXRFAOBLHBA-UHFFFAOYSA-N
XLogP18.70
TPSA86.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.17
LogP ≤ 518.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(4-dibenzofuran-4-ylphenyl)-6-[5-[2-[3-(4-dibenzofuran-4-ylphenyl)-[1,2,4]triazolo[3,4-a]isoquinolin-9-yl]phenyl]naphthalen-2-yl]-[1,2,4]triazolo[3,4-a]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

3-(4-dibenzofuran-4-ylphenyl)-6-(2-phenylphenyl)-[1,2,4]triazolo[3,4-a]isoquinoline
CID 58068928
4-(9-phenanthren-2-ylchrysen-3-yl)dibenzofuran
CID 118520836
3-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-4-phenyl-1,2,4-triazole
CID 58518643
2-chrysen-2-yl-4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazine
CID 170131612
3-(4-dibenzofuran-4-ylphenyl)-11-phenyl-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068443
3-[4-(2,8-dinaphthalen-1-yldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(2,8-dinaphthalen-2-yldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(6-phenyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(2,6,8-triphenyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine
CID 158912213
3-[4-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline
CID 58068665
4-dibenzofuran-4-yl-6-(2-naphthalen-1-ylphenyl)-2-triphenylen-2-ylpyrimidine
CID 167349645
3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole
CID 58518663
2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 168845004
N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-1-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374411
2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 155481309

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-4-ylphenyl)-6-[5-[2-[3-(4-dibenzofuran-4-ylphenyl)-[1,2,4]triazolo[3,4-a]isoquinolin-9-yl]phenyl]naphthalen-2-yl]-[1,2,4]triazolo[3,4-a]isoquinoline?
The IUPAC name of 3-(4-dibenzofuran-4-ylphenyl)-6-[5-[2-[3-(4-dibenzofuran-4-ylphenyl)-[1,2,4]triazolo[3,4-a]isoquinolin-9-yl]phenyl]naphthalen-2-yl]-[1,2,4]triazolo[3,4-a]isoquinoline (CID 123748371) is 3-(4-dibenzofuran-4-ylphenyl)-6-[5-[2-[3-(4-dibenzofuran-4-ylphenyl)-[1,2,4]triazolo[3,4-a]isoquinolin-9-yl]phenyl]naphthalen-2-yl]-[1,2,4]triazolo[3,4-a]isoquinoline.
What is the SMILES notation for 3-(4-dibenzofuran-4-ylphenyl)-6-[5-[2-[3-(4-dibenzofuran-4-ylphenyl)-[1,2,4]triazolo[3,4-a]isoquinolin-9-yl]phenyl]naphthalen-2-yl]-[1,2,4]triazolo[3,4-a]isoquinoline?
The canonical SMILES for 3-(4-dibenzofuran-4-ylphenyl)-6-[5-[2-[3-(4-dibenzofuran-4-ylphenyl)-[1,2,4]triazolo[3,4-a]isoquinolin-9-yl]phenyl]naphthalen-2-yl]-[1,2,4]triazolo[3,4-a]isoquinoline is c1ccc(-c2cccc3cc(-c4cn5c(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)nnc5c5ccccc45)ccc23)c(-c2ccc3ccn4c(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)nnc4c3c2)c1.
What is the InChIKey of 3-(4-dibenzofuran-4-ylphenyl)-6-[5-[2-[3-(4-dibenzofuran-4-ylphenyl)-[1,2,4]triazolo[3,4-a]isoquinolin-9-yl]phenyl]naphthalen-2-yl]-[1,2,4]triazolo[3,4-a]isoquinoline?
The InChIKey is MWJXXRFAOBLHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H42N6O2/c1-2-14-55(51(13-1)50-35-30-45-38-39-77-69(73-76-72(77)63(45)41-50)46-31-26-43(27-32-46)53-19-10-22-60-58-16-5-7-24-65(58)79-67(53)60)56-21-9-12-48-40-49(36-37-52(48)56)64-42-78-70(74-75-71(78)62-18-4-3-15-57(62)64)47-33-28-44(29-34-47)54-20-11-23-61-59-17-6-8-25-66(59)80-68(54)61/h1-42H.
What are the key properties of 3-(4-dibenzofuran-4-ylphenyl)-6-[5-[2-[3-(4-dibenzofuran-4-ylphenyl)-[1,2,4]triazolo[3,4-a]isoquinolin-9-yl]phenyl]naphthalen-2-yl]-[1,2,4]triazolo[3,4-a]isoquinoline?
3-(4-dibenzofuran-4-ylphenyl)-6-[5-[2-[3-(4-dibenzofuran-4-ylphenyl)-[1,2,4]triazolo[3,4-a]isoquinolin-9-yl]phenyl]naphthalen-2-yl]-[1,2,4]triazolo[3,4-a]isoquinoline has a molecular weight of 1023.17 g/mol, XLogP of 18.70, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzofuran-4-ylphenyl)-6-[5-[2-[3-(4-dibenzofuran-4-ylphenyl)-[1,2,4]triazolo[3,4-a]isoquinolin-9-yl]phenyl]naphthalen-2-yl]-[1,2,4]triazolo[3,4-a]isoquinoline is sourced from PubChem (CID 123748371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).