5-[4-[9-(4,4a-dihydronaphthalen-2-yl)-10-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,2,8,8a-tetrahydroanthracen-2-yl]phenyl]-6-methylidenepyrazino[2,3-c]isoquinoline

C52H43N3 — CID 89063900

IUPAC5-[4-[9-(4,4a-dihydronaphthalen-2-yl)-10-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,2,8,8a-tetrahydroanthracen-2-yl]phenyl]-6-methylidenepyrazino[2,3-c]isoquinoline
SMILESC=C1c2ccccc2-c2nccnc2N1c1ccc(C2C=CC3=C(C4=CCC5CCC=CC5=C4)C4=CC=CCC4C(C4=CCC5C=CC=CC5=C4)=C3C2)cc1
InChIInChI=1S/C52H43N3/c1-33-43-14-6-9-17-47(43)51-52(54-29-28-53-51)55(33)42-25-22-36(23-26-42)39-24-27-46-48(32-39)50(41-21-19-35-11-3-5-13-38(35)31-41)45-16-8-7-15-44(45)49(46)40-20-18-34-10-2-4-12-37(34)30-40/h3-9,11-15,17,20-31,34-35,39,45H,1-2,10,16,18-19,32H2
InChIKeyPOCQQKNKVDTEAX-UHFFFAOYSA-N
MW709.94 g/mol
LogP12.64
Rot. Bonds4

About 5-[4-[9-(4,4a-dihydronaphthalen-2-yl)-10-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,2,8,8a-tetrahydroanthracen-2-yl]phenyl]-6-methylidenepyrazino[2,3-c]isoquinoline

5-[4-[9-(4,4a-dihydronaphthalen-2-yl)-10-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,2,8,8a-tetrahydroanthracen-2-yl]phenyl]-6-methylidenepyrazino[2,3-c]isoquinoline (PubChem CID 89063900) has the molecular formula C52H43N3 and a molecular weight of 709.94 g/mol. Its IUPAC name is 5-[4-[9-(4,4a-dihydronaphthalen-2-yl)-10-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,2,8,8a-tetrahydroanthracen-2-yl]phenyl]-6-methylidenepyrazino[2,3-c]isoquinoline.

Molecular Properties

Compound Name5-[4-[9-(4,4a-dihydronaphthalen-2-yl)-10-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,2,8,8a-tetrahydroanthracen-2-yl]phenyl]-6-methylidenepyrazino[2,3-c]isoquinoline
PubChem CID89063900
Molecular FormulaC52H43N3
Molecular Weight709.94 g/mol
Exact Mass709.35
IUPAC Name5-[4-[9-(4,4a-dihydronaphthalen-2-yl)-10-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,2,8,8a-tetrahydroanthracen-2-yl]phenyl]-6-methylidenepyrazino[2,3-c]isoquinoline
SMILESC=C1c2ccccc2-c2nccnc2N1c1ccc(C2C=CC3=C(C4=CCC5CCC=CC5=C4)C4=CC=CCC4C(C4=CCC5C=CC=CC5=C4)=C3C2)cc1
InChIInChI=1S/C52H43N3/c1-33-43-14-6-9-17-47(43)51-52(54-29-28-53-51)55(33)42-25-22-36(23-26-42)39-24-27-46-48(32-39)50(41-21-19-35-11-3-5-13-38(35)31-41)45-16-8-7-15-44(45)49(46)40-20-18-34-10-2-4-12-37(34)30-40/h3-9,11-15,17,20-31,34-35,39,45H,1-2,10,16,18-19,32H2
InChIKeyPOCQQKNKVDTEAX-UHFFFAOYSA-N
XLogP12.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.94
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[4-[9-(4,4a-dihydronaphthalen-2-yl)-10-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,2,8,8a-tetrahydroanthracen-2-yl]phenyl]-6-methylidenepyrazino[2,3-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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[9-(4,4a-dihydronaphthalen-2-yl)-10-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,2,8,8a-tetrahydroanthracen-2-yl]phenyl]-6-methylidenepyrazino[2,3-c]isoquinoline?
The IUPAC name of 5-[4-[9-(4,4a-dihydronaphthalen-2-yl)-10-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,2,8,8a-tetrahydroanthracen-2-yl]phenyl]-6-methylidenepyrazino[2,3-c]isoquinoline (CID 89063900) is 5-[4-[9-(4,4a-dihydronaphthalen-2-yl)-10-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,2,8,8a-tetrahydroanthracen-2-yl]phenyl]-6-methylidenepyrazino[2,3-c]isoquinoline.
What is the SMILES notation for 5-[4-[9-(4,4a-dihydronaphthalen-2-yl)-10-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,2,8,8a-tetrahydroanthracen-2-yl]phenyl]-6-methylidenepyrazino[2,3-c]isoquinoline?
The canonical SMILES for 5-[4-[9-(4,4a-dihydronaphthalen-2-yl)-10-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,2,8,8a-tetrahydroanthracen-2-yl]phenyl]-6-methylidenepyrazino[2,3-c]isoquinoline is C=C1c2ccccc2-c2nccnc2N1c1ccc(C2C=CC3=C(C4=CCC5CCC=CC5=C4)C4=CC=CCC4C(C4=CCC5C=CC=CC5=C4)=C3C2)cc1.
What is the InChIKey of 5-[4-[9-(4,4a-dihydronaphthalen-2-yl)-10-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,2,8,8a-tetrahydroanthracen-2-yl]phenyl]-6-methylidenepyrazino[2,3-c]isoquinoline?
The InChIKey is POCQQKNKVDTEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43N3/c1-33-43-14-6-9-17-47(43)51-52(54-29-28-53-51)55(33)42-25-22-36(23-26-42)39-24-27-46-48(32-39)50(41-21-19-35-11-3-5-13-38(35)31-41)45-16-8-7-15-44(45)49(46)40-20-18-34-10-2-4-12-37(34)30-40/h3-9,11-15,17,20-31,34-35,39,45H,1-2,10,16,18-19,32H2.
What are the key properties of 5-[4-[9-(4,4a-dihydronaphthalen-2-yl)-10-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,2,8,8a-tetrahydroanthracen-2-yl]phenyl]-6-methylidenepyrazino[2,3-c]isoquinoline?
5-[4-[9-(4,4a-dihydronaphthalen-2-yl)-10-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,2,8,8a-tetrahydroanthracen-2-yl]phenyl]-6-methylidenepyrazino[2,3-c]isoquinoline has a molecular weight of 709.94 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[9-(4,4a-dihydronaphthalen-2-yl)-10-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,2,8,8a-tetrahydroanthracen-2-yl]phenyl]-6-methylidenepyrazino[2,3-c]isoquinoline is sourced from PubChem (CID 89063900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).