9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-7-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]-2,3-dimethylimidazo[2,1-a]isoquinoline

C45H38N4O — CID 164709417

IUPAC9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-7-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]-2,3-dimethylimidazo[2,1-a]isoquinoline
SMILESCc1cccc(C)c1-c1cc(Oc2cc(-c3cc(-c4c(C)cccc4C)ccn3)cc3c2ccn2c(C)c(C)nc32)cc(-c2ccccn2)c1
InChIInChI=1S/C45H38N4O/c1-27-11-9-12-28(2)43(27)33-16-19-47-41(25-33)35-24-39-38(17-20-49-32(6)31(5)48-45(39)49)42(26-35)50-37-22-34(40-15-7-8-18-46-40)21-36(23-37)44-29(3)13-10-14-30(44)4/h7-26H,1-6H3
InChIKeyGDNQXQLECNGSRP-UHFFFAOYSA-N
MW650.83 g/mol
LogP11.59
Rot. Bonds6

About 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-7-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]-2,3-dimethylimidazo[2,1-a]isoquinoline

9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-7-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]-2,3-dimethylimidazo[2,1-a]isoquinoline (PubChem CID 164709417) has the molecular formula C45H38N4O and a molecular weight of 650.83 g/mol. Its IUPAC name is 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-7-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]-2,3-dimethylimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-7-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]-2,3-dimethylimidazo[2,1-a]isoquinoline
PubChem CID164709417
Molecular FormulaC45H38N4O
Molecular Weight650.83 g/mol
Exact Mass650.30
IUPAC Name9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-7-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]-2,3-dimethylimidazo[2,1-a]isoquinoline
SMILESCc1cccc(C)c1-c1cc(Oc2cc(-c3cc(-c4c(C)cccc4C)ccn3)cc3c2ccn2c(C)c(C)nc32)cc(-c2ccccn2)c1
InChIInChI=1S/C45H38N4O/c1-27-11-9-12-28(2)43(27)33-16-19-47-41(25-33)35-24-39-38(17-20-49-32(6)31(5)48-45(39)49)42(26-35)50-37-22-34(40-15-7-8-18-46-40)21-36(23-37)44-29(3)13-10-14-30(44)4/h7-26H,1-6H3
InChIKeyGDNQXQLECNGSRP-UHFFFAOYSA-N
XLogP11.59
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-7-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]-2,3-dimethylimidazo[2,1-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

4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine
CID 140733756
2-[2-[2-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]phenyl]phenyl]phenyl]pyridine
CID 139363753
2-[3-(2-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine
CID 142562312
3-(4-tert-butyl-2-pyridinyl)-1-[3-[5-(2,6-dimethylphenyl)-2-pyridinyl]phenoxy]indolo[2,1-a]isoquinoline
CID 176766986
15-(2-methylphenyl)-6-[3-[3-(2-methylphenyl)-5-pyridin-2-ylphenoxy]phenyl]-1,5-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 165161147
2-pyridin-4-yl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]pyridine
CID 153170938
2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole
CID 90290347
4-(3,5-dipyridin-2-ylphenyl)-2,6-bis(4-pyridin-2-ylphenyl)pyridine
CID 118582537
7-(2,6-dimethylphenyl)-10-methyl-9-pyridin-2-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59359096
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 118487428
2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine
CID 142562263
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-7-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]-2,3-dimethylimidazo[2,1-a]isoquinoline?
The IUPAC name of 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-7-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]-2,3-dimethylimidazo[2,1-a]isoquinoline (CID 164709417) is 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-7-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]-2,3-dimethylimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-7-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]-2,3-dimethylimidazo[2,1-a]isoquinoline?
The canonical SMILES for 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-7-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]-2,3-dimethylimidazo[2,1-a]isoquinoline is Cc1cccc(C)c1-c1cc(Oc2cc(-c3cc(-c4c(C)cccc4C)ccn3)cc3c2ccn2c(C)c(C)nc32)cc(-c2ccccn2)c1.
What is the InChIKey of 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-7-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]-2,3-dimethylimidazo[2,1-a]isoquinoline?
The InChIKey is GDNQXQLECNGSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38N4O/c1-27-11-9-12-28(2)43(27)33-16-19-47-41(25-33)35-24-39-38(17-20-49-32(6)31(5)48-45(39)49)42(26-35)50-37-22-34(40-15-7-8-18-46-40)21-36(23-37)44-29(3)13-10-14-30(44)4/h7-26H,1-6H3.
What are the key properties of 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-7-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]-2,3-dimethylimidazo[2,1-a]isoquinoline?
9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-7-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]-2,3-dimethylimidazo[2,1-a]isoquinoline has a molecular weight of 650.83 g/mol, XLogP of 11.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-7-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]-2,3-dimethylimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 164709417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).