3-[3-(2-phenylpropan-2-yl)phenyl]isoquinoline

C24H21N — CID 162707825

IUPAC3-[3-(2-phenylpropan-2-yl)phenyl]isoquinoline
SMILESCC(C)(c1ccccc1)c1cccc(-c2cc3ccccc3cn2)c1
InChIInChI=1S/C24H21N/c1-24(2,21-12-4-3-5-13-21)22-14-8-11-19(15-22)23-16-18-9-6-7-10-20(18)17-25-23/h3-17H,1-2H3
InChIKeyZXLBNMJALRHGDC-UHFFFAOYSA-N
MW323.44 g/mol
LogP6.23
Rot. Bonds3

About 3-[3-(2-phenylpropan-2-yl)phenyl]isoquinoline

3-[3-(2-phenylpropan-2-yl)phenyl]isoquinoline (PubChem CID 162707825) has the molecular formula C24H21N and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[3-(2-phenylpropan-2-yl)phenyl]isoquinoline.

Molecular Properties

Compound Name3-[3-(2-phenylpropan-2-yl)phenyl]isoquinoline
PubChem CID162707825
Molecular FormulaC24H21N
Molecular Weight323.44 g/mol
Exact Mass323.17
IUPAC Name3-[3-(2-phenylpropan-2-yl)phenyl]isoquinoline
SMILESCC(C)(c1ccccc1)c1cccc(-c2cc3ccccc3cn2)c1
InChIInChI=1S/C24H21N/c1-24(2,21-12-4-3-5-13-21)22-14-8-11-19(15-22)23-16-18-9-6-7-10-20(18)17-25-23/h3-17H,1-2H3
InChIKeyZXLBNMJALRHGDC-UHFFFAOYSA-N
XLogP6.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(2-phenylpropan-2-yl)phenyl]quinazoline
CID 140676068
3-[3-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]phenyl]isoquinoline
CID 140593953
3-azulen-2-ylisoquinoline
CID 139326489
trimethyl-[2-[3-(2-phenylpropan-2-yl)phenyl]-4-pyridinyl]silane
CID 162707277
3-[3-(4,6-ditert-butylpyrimidin-2-yl)phenyl]isoquinoline
CID 118642270
5-phenyl-2-[3-[4-[3-[3-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 163447851
3-[3,5-bis(trifluoromethyl)phenyl]isoquinoline
CID 138972935
3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]isoquinoline
CID 153428756
3-[3-[4-[3-(3,5-diphenylphenyl)-5-phenylphenyl]-6-[3-phenyl-5-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 140786256
3-[3-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]isoquinoline
CID 140786223
2-phenyl-5-(2-phenylpropan-2-yl)pyridine
CID 162707212
3-[3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline;3-[3-(4,6-difluoro-1,3,5-triazin-2-yl)phenyl]isoquinoline;ethane
CID 144987688

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-phenylpropan-2-yl)phenyl]isoquinoline?
The IUPAC name of 3-[3-(2-phenylpropan-2-yl)phenyl]isoquinoline (CID 162707825) is 3-[3-(2-phenylpropan-2-yl)phenyl]isoquinoline.
What is the SMILES notation for 3-[3-(2-phenylpropan-2-yl)phenyl]isoquinoline?
The canonical SMILES for 3-[3-(2-phenylpropan-2-yl)phenyl]isoquinoline is CC(C)(c1ccccc1)c1cccc(-c2cc3ccccc3cn2)c1.
What is the InChIKey of 3-[3-(2-phenylpropan-2-yl)phenyl]isoquinoline?
The InChIKey is ZXLBNMJALRHGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N/c1-24(2,21-12-4-3-5-13-21)22-14-8-11-19(15-22)23-16-18-9-6-7-10-20(18)17-25-23/h3-17H,1-2H3.
What are the key properties of 3-[3-(2-phenylpropan-2-yl)phenyl]isoquinoline?
3-[3-(2-phenylpropan-2-yl)phenyl]isoquinoline has a molecular weight of 323.44 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-phenylpropan-2-yl)phenyl]isoquinoline is sourced from PubChem (CID 162707825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).