6-[5-[3-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)phenyl]-2-pyridinyl]-8,9-dimethoxy-3-methyl-1-(3-pyridin-4-ylphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline

C50H44N6O4 — CID 123744522

IUPAC6-[5-[3-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)phenyl]-2-pyridinyl]-8,9-dimethoxy-3-methyl-1-(3-pyridin-4-ylphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3cccc(-c4ccc(C5Cn6c(C)nc(-c7cccc(-c8ccncc8)c7)c6-c6cc(OC)c(OC)cc65)nc4)c3)nc(C)n1CC2
InChIInChI=1S/C50H44N6O4/c1-29-53-47(49-38-24-44(58-4)43(57-3)23-34(38)17-20-55(29)49)36-12-8-10-33(22-36)37-13-14-42(52-27-37)41-28-56-30(2)54-48(35-11-7-9-32(21-35)31-15-18-51-19-16-31)50(56)40-26-46(60-6)45(59-5)25-39(40)41/h7-16,18-19,21-27,41H,17,20,28H2,1-6H3
InChIKeyAXXDMKZKDMHGOV-UHFFFAOYSA-N
MW792.94 g/mol
LogP10.22
Rot. Bonds9

About 6-[5-[3-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)phenyl]-2-pyridinyl]-8,9-dimethoxy-3-methyl-1-(3-pyridin-4-ylphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline

6-[5-[3-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)phenyl]-2-pyridinyl]-8,9-dimethoxy-3-methyl-1-(3-pyridin-4-ylphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline (PubChem CID 123744522) has the molecular formula C50H44N6O4 and a molecular weight of 792.94 g/mol. Its IUPAC name is 6-[5-[3-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)phenyl]-2-pyridinyl]-8,9-dimethoxy-3-methyl-1-(3-pyridin-4-ylphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name6-[5-[3-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)phenyl]-2-pyridinyl]-8,9-dimethoxy-3-methyl-1-(3-pyridin-4-ylphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline
PubChem CID123744522
Molecular FormulaC50H44N6O4
Molecular Weight792.94 g/mol
Exact Mass792.34
IUPAC Name6-[5-[3-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)phenyl]-2-pyridinyl]-8,9-dimethoxy-3-methyl-1-(3-pyridin-4-ylphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3cccc(-c4ccc(C5Cn6c(C)nc(-c7cccc(-c8ccncc8)c7)c6-c6cc(OC)c(OC)cc65)nc4)c3)nc(C)n1CC2
InChIInChI=1S/C50H44N6O4/c1-29-53-47(49-38-24-44(58-4)43(57-3)23-34(38)17-20-55(29)49)36-12-8-10-33(22-36)37-13-14-42(52-27-37)41-28-56-30(2)54-48(35-11-7-9-32(21-35)31-15-18-51-19-16-31)50(56)40-26-46(60-6)45(59-5)25-39(40)41/h7-16,18-19,21-27,41H,17,20,28H2,1-6H3
InChIKeyAXXDMKZKDMHGOV-UHFFFAOYSA-N
XLogP10.22
TPSA98.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.94
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-[5-[3-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)phenyl]-2-pyridinyl]-8,9-dimethoxy-3-methyl-1-(3-pyridin-4-ylphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[3-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)phenyl]-2-pyridinyl]-8,9-dimethoxy-3-methyl-1-(3-pyridin-4-ylphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline?
The IUPAC name of 6-[5-[3-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)phenyl]-2-pyridinyl]-8,9-dimethoxy-3-methyl-1-(3-pyridin-4-ylphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline (CID 123744522) is 6-[5-[3-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)phenyl]-2-pyridinyl]-8,9-dimethoxy-3-methyl-1-(3-pyridin-4-ylphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline.
What is the SMILES notation for 6-[5-[3-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)phenyl]-2-pyridinyl]-8,9-dimethoxy-3-methyl-1-(3-pyridin-4-ylphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline?
The canonical SMILES for 6-[5-[3-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)phenyl]-2-pyridinyl]-8,9-dimethoxy-3-methyl-1-(3-pyridin-4-ylphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline is COc1cc2c(cc1OC)-c1c(-c3cccc(-c4ccc(C5Cn6c(C)nc(-c7cccc(-c8ccncc8)c7)c6-c6cc(OC)c(OC)cc65)nc4)c3)nc(C)n1CC2.
What is the InChIKey of 6-[5-[3-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)phenyl]-2-pyridinyl]-8,9-dimethoxy-3-methyl-1-(3-pyridin-4-ylphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline?
The InChIKey is AXXDMKZKDMHGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N6O4/c1-29-53-47(49-38-24-44(58-4)43(57-3)23-34(38)17-20-55(29)49)36-12-8-10-33(22-36)37-13-14-42(52-27-37)41-28-56-30(2)54-48(35-11-7-9-32(21-35)31-15-18-51-19-16-31)50(56)40-26-46(60-6)45(59-5)25-39(40)41/h7-16,18-19,21-27,41H,17,20,28H2,1-6H3.
What are the key properties of 6-[5-[3-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)phenyl]-2-pyridinyl]-8,9-dimethoxy-3-methyl-1-(3-pyridin-4-ylphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline?
6-[5-[3-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)phenyl]-2-pyridinyl]-8,9-dimethoxy-3-methyl-1-(3-pyridin-4-ylphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline has a molecular weight of 792.94 g/mol, XLogP of 10.22, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[3-(8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)phenyl]-2-pyridinyl]-8,9-dimethoxy-3-methyl-1-(3-pyridin-4-ylphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline is sourced from PubChem (CID 123744522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).