7-(4-carbazol-9-ylphenyl)imidazo[2,1-a]isoquinoline

C29H19N3 — CID 58517577

IUPAC7-(4-carbazol-9-ylphenyl)imidazo[2,1-a]isoquinoline
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc3c2ccn2ccnc32)cc1
InChIInChI=1S/C29H19N3/c1-3-10-27-24(6-1)25-7-2-4-11-28(25)32(27)21-14-12-20(13-15-21)22-8-5-9-26-23(22)16-18-31-19-17-30-29(26)31/h1-19H
InChIKeyIGLTUFGEYUFSSG-UHFFFAOYSA-N
MW409.49 g/mol
LogP7.25
Rot. Bonds2

About 7-(4-carbazol-9-ylphenyl)imidazo[2,1-a]isoquinoline

7-(4-carbazol-9-ylphenyl)imidazo[2,1-a]isoquinoline (PubChem CID 58517577) has the molecular formula C29H19N3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 7-(4-carbazol-9-ylphenyl)imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name7-(4-carbazol-9-ylphenyl)imidazo[2,1-a]isoquinoline
PubChem CID58517577
Molecular FormulaC29H19N3
Molecular Weight409.49 g/mol
Exact Mass409.16
IUPAC Name7-(4-carbazol-9-ylphenyl)imidazo[2,1-a]isoquinoline
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc3c2ccn2ccnc32)cc1
InChIInChI=1S/C29H19N3/c1-3-10-27-24(6-1)25-7-2-4-11-28(25)32(27)21-14-12-20(13-15-21)22-8-5-9-26-23(22)16-18-31-19-17-30-29(26)31/h1-19H
InChIKeyIGLTUFGEYUFSSG-UHFFFAOYSA-N
XLogP7.25
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(4-imidazo[2,1-a]isoquinolin-7-ylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58517960
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
9-[4-(1-phenylimidazol-2-yl)phenyl]carbazole
CID 140800069
9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole
CID 140800046
9-[4-[1-(2,4,6-triphenylphenyl)imidazol-2-yl]phenyl]carbazole
CID 140799910
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]carbazole
CID 176632540
9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole
CID 118595129
7-chloroimidazo[2,1-a]isoquinoline
CID 58517958
6-phenylimidazo[2,1-a]isoquinoline
CID 58517625
9-[4-[2-bis[2-(4-carbazol-9-ylphenyl)phenyl]phosphorylphenyl]phenyl]carbazole
CID 58251526

Frequently Asked Questions

What is the IUPAC name of 7-(4-carbazol-9-ylphenyl)imidazo[2,1-a]isoquinoline?
The IUPAC name of 7-(4-carbazol-9-ylphenyl)imidazo[2,1-a]isoquinoline (CID 58517577) is 7-(4-carbazol-9-ylphenyl)imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 7-(4-carbazol-9-ylphenyl)imidazo[2,1-a]isoquinoline?
The canonical SMILES for 7-(4-carbazol-9-ylphenyl)imidazo[2,1-a]isoquinoline is c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc3c2ccn2ccnc32)cc1.
What is the InChIKey of 7-(4-carbazol-9-ylphenyl)imidazo[2,1-a]isoquinoline?
The InChIKey is IGLTUFGEYUFSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3/c1-3-10-27-24(6-1)25-7-2-4-11-28(25)32(27)21-14-12-20(13-15-21)22-8-5-9-26-23(22)16-18-31-19-17-30-29(26)31/h1-19H.
What are the key properties of 7-(4-carbazol-9-ylphenyl)imidazo[2,1-a]isoquinoline?
7-(4-carbazol-9-ylphenyl)imidazo[2,1-a]isoquinoline has a molecular weight of 409.49 g/mol, XLogP of 7.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-carbazol-9-ylphenyl)imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 58517577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).