5,6-bis(4-chlorophenyl)-1-phenyl-3-propan-2-ylimidazo[5,1-a]isoquinoline

C32H24Cl2N2 — CID 168875275

IUPAC5,6-bis(4-chlorophenyl)-1-phenyl-3-propan-2-ylimidazo[5,1-a]isoquinoline
SMILESCC(C)c1nc(-c2ccccc2)c2c3ccccc3c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n12
InChIInChI=1S/C32H24Cl2N2/c1-20(2)32-35-29(22-8-4-3-5-9-22)31-27-11-7-6-10-26(27)28(21-12-16-24(33)17-13-21)30(36(31)32)23-14-18-25(34)19-15-23/h3-20H,1-2H3
InChIKeyMLJSXNQCWMDOML-UHFFFAOYSA-N
MW507.46 g/mol
LogP9.92
Rot. Bonds4

About 5,6-bis(4-chlorophenyl)-1-phenyl-3-propan-2-ylimidazo[5,1-a]isoquinoline

5,6-bis(4-chlorophenyl)-1-phenyl-3-propan-2-ylimidazo[5,1-a]isoquinoline (PubChem CID 168875275) has the molecular formula C32H24Cl2N2 and a molecular weight of 507.46 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)-1-phenyl-3-propan-2-ylimidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)-1-phenyl-3-propan-2-ylimidazo[5,1-a]isoquinoline
PubChem CID168875275
Molecular FormulaC32H24Cl2N2
Molecular Weight507.46 g/mol
Exact Mass506.13
IUPAC Name5,6-bis(4-chlorophenyl)-1-phenyl-3-propan-2-ylimidazo[5,1-a]isoquinoline
SMILESCC(C)c1nc(-c2ccccc2)c2c3ccccc3c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n12
InChIInChI=1S/C32H24Cl2N2/c1-20(2)32-35-29(22-8-4-3-5-9-22)31-27-11-7-6-10-26(27)28(21-12-16-24(33)17-13-21)30(36(31)32)23-14-18-25(34)19-15-23/h3-20H,1-2H3
InChIKeyMLJSXNQCWMDOML-UHFFFAOYSA-N
XLogP9.92
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.46
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-bis(4-chlorophenyl)indolo[2,1-a]isoquinoline
CID 135059689
1,2,5-triphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 155159510
1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole
CID 102274301
16,17-diphenyl-15,25-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene
CID 102335140
1,2,5-triphenyl-6-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline
CID 155158485
1-benzyl-5-(4-chlorophenyl)-4-(furan-2-yl)-2-propan-2-ylimidazole
CID 122227303
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,6,13-triphenylisoquinolino[2,1-b]isoquinolin-8-one
CID 164913433
4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine
CID 167485118
5,6-bis(4-chlorophenyl)pyrazolo[5,1-a]isoquinoline
CID 56648998
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,5-diphenyl-2-(4-phenylphenyl)pyrazolo[5,1-a]isoquinoline
CID 155159008
3-chloro-2,4-diphenylquinoline
CID 10781654
4-bromo-2-(4-chlorophenyl)quinolin-3-ol
CID 177441315

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)-1-phenyl-3-propan-2-ylimidazo[5,1-a]isoquinoline?
The IUPAC name of 5,6-bis(4-chlorophenyl)-1-phenyl-3-propan-2-ylimidazo[5,1-a]isoquinoline (CID 168875275) is 5,6-bis(4-chlorophenyl)-1-phenyl-3-propan-2-ylimidazo[5,1-a]isoquinoline.
What is the SMILES notation for 5,6-bis(4-chlorophenyl)-1-phenyl-3-propan-2-ylimidazo[5,1-a]isoquinoline?
The canonical SMILES for 5,6-bis(4-chlorophenyl)-1-phenyl-3-propan-2-ylimidazo[5,1-a]isoquinoline is CC(C)c1nc(-c2ccccc2)c2c3ccccc3c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n12.
What is the InChIKey of 5,6-bis(4-chlorophenyl)-1-phenyl-3-propan-2-ylimidazo[5,1-a]isoquinoline?
The InChIKey is MLJSXNQCWMDOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24Cl2N2/c1-20(2)32-35-29(22-8-4-3-5-9-22)31-27-11-7-6-10-26(27)28(21-12-16-24(33)17-13-21)30(36(31)32)23-14-18-25(34)19-15-23/h3-20H,1-2H3.
What are the key properties of 5,6-bis(4-chlorophenyl)-1-phenyl-3-propan-2-ylimidazo[5,1-a]isoquinoline?
5,6-bis(4-chlorophenyl)-1-phenyl-3-propan-2-ylimidazo[5,1-a]isoquinoline has a molecular weight of 507.46 g/mol, XLogP of 9.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-chlorophenyl)-1-phenyl-3-propan-2-ylimidazo[5,1-a]isoquinoline is sourced from PubChem (CID 168875275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).