1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline

C97H61N7 — CID 159845320

IUPAC1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
SMILESc1ccc2c(-c3cc(-c4cc(-c5nccc6ccccc56)cc(-c5nccc6ccccc56)c4)cc(-c4cccc5ccccc45)n3)cccc2c1.c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-c4cc(-c5nccc6ccccc56)cc(-c5nccc6ccccc56)c4)n3)cccc2c1
InChIInChI=1S/C49H31N3.C48H30N4/c1-5-17-40-32(11-1)15-9-21-44(40)46-30-37(31-47(52-46)45-22-10-16-33-12-2-6-18-41(33)45)36-27-38(48-42-19-7-3-13-34(42)23-25-50-48)29-39(28-36)49-43-20-8-4-14-35(43)24-26-51-49;1-5-17-38-31(11-1)15-9-21-42(38)44-30-45(43-22-10-16-32-12-2-6-18-39(32)43)52-48(51-44)37-28-35(46-40-19-7-3-13-33(40)23-25-49-46)27-36(29-37)47-41-20-8-4-14-34(41)24-26-50-47/h1-31H;1-30H
InChIKeyNPFKOIUTPMGQKX-UHFFFAOYSA-N
MW1324.60 g/mol
LogP25.03
Rot. Bonds10

About 1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline

1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline (PubChem CID 159845320) has the molecular formula C97H61N7 and a molecular weight of 1324.60 g/mol. Its IUPAC name is 1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline.

Molecular Properties

Compound Name1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
PubChem CID159845320
Molecular FormulaC97H61N7
Molecular Weight1324.60 g/mol
Exact Mass1323.50
IUPAC Name1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
SMILESc1ccc2c(-c3cc(-c4cc(-c5nccc6ccccc56)cc(-c5nccc6ccccc56)c4)cc(-c4cccc5ccccc45)n3)cccc2c1.c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-c4cc(-c5nccc6ccccc56)cc(-c5nccc6ccccc56)c4)n3)cccc2c1
InChIInChI=1S/C49H31N3.C48H30N4/c1-5-17-40-32(11-1)15-9-21-44(40)46-30-37(31-47(52-46)45-22-10-16-33-12-2-6-18-41(33)45)36-27-38(48-42-19-7-3-13-34(42)23-25-50-48)29-39(28-36)49-43-20-8-4-14-35(43)24-26-51-49;1-5-17-38-31(11-1)15-9-21-42(38)44-30-45(43-22-10-16-32-12-2-6-18-39(32)43)52-48(51-44)37-28-35(46-40-19-7-3-13-33(40)23-25-49-46)27-36(29-37)47-41-20-8-4-14-34(41)24-26-50-47/h1-31H;1-30H
InChIKeyNPFKOIUTPMGQKX-UHFFFAOYSA-N
XLogP25.03
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001324.60
LogP ≤ 525.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]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

4-[3-(4,6-dinaphthalen-1-yl-2-pyridinyl)-5-quinolin-4-ylphenyl]quinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-3-ylphenyl]isoquinoline
CID 158554997
1-[3-(4,6-diphenylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582444
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582323
1-[3-[4-(3,5-diphenylphenyl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]isoquinoline
CID 140786241
1-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine
CID 164974564
1-[3-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 140786417
1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]isoquinoline
CID 90401606
1-[4-[3-(4-isoquinolin-1-ylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]isoquinoline
CID 163990353
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 158179246
1-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline
CID 164817239
1-[3-[4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline
CID 122427216
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazine;1-[4-[4-(3,5-dipyridin-2-ylphenyl)-6-(4-isoquinolin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline;4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 163759383

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline?
The IUPAC name of 1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline (CID 159845320) is 1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline.
What is the SMILES notation for 1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline?
The canonical SMILES for 1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline is c1ccc2c(-c3cc(-c4cc(-c5nccc6ccccc56)cc(-c5nccc6ccccc56)c4)cc(-c4cccc5ccccc45)n3)cccc2c1.c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-c4cc(-c5nccc6ccccc56)cc(-c5nccc6ccccc56)c4)n3)cccc2c1.
What is the InChIKey of 1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline?
The InChIKey is NPFKOIUTPMGQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3.C48H30N4/c1-5-17-40-32(11-1)15-9-21-44(40)46-30-37(31-47(52-46)45-22-10-16-33-12-2-6-18-41(33)45)36-27-38(48-42-19-7-3-13-34(42)23-25-50-48)29-39(28-36)49-43-20-8-4-14-35(43)24-26-51-49;1-5-17-38-31(11-1)15-9-21-42(38)44-30-45(43-22-10-16-32-12-2-6-18-39(32)43)52-48(51-44)37-28-35(46-40-19-7-3-13-33(40)23-25-49-46)27-36(29-37)47-41-20-8-4-14-34(41)24-26-50-47/h1-31H;1-30H.
What are the key properties of 1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline?
1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline has a molecular weight of 1324.60 g/mol, XLogP of 25.03, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline is sourced from PubChem (CID 159845320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).