7-(4-cyclohexylphenyl)-1-phenylisoquinoline

C27H25N — CID 156674472

IUPAC7-(4-cyclohexylphenyl)-1-phenylisoquinoline
SMILESc1ccc(-c2nccc3ccc(-c4ccc(C5CCCCC5)cc4)cc23)cc1
InChIInChI=1S/C27H25N/c1-3-7-20(8-4-1)21-11-13-22(14-12-21)25-16-15-23-17-18-28-27(26(23)19-25)24-9-5-2-6-10-24/h2,5-6,9-20H,1,3-4,7-8H2
InChIKeyKZTSFZHVKNNEJN-UHFFFAOYSA-N
MW363.50 g/mol
LogP7.62
Rot. Bonds3

About 7-(4-cyclohexylphenyl)-1-phenylisoquinoline

7-(4-cyclohexylphenyl)-1-phenylisoquinoline (PubChem CID 156674472) has the molecular formula C27H25N and a molecular weight of 363.50 g/mol. Its IUPAC name is 7-(4-cyclohexylphenyl)-1-phenylisoquinoline.

Molecular Properties

Compound Name7-(4-cyclohexylphenyl)-1-phenylisoquinoline
PubChem CID156674472
Molecular FormulaC27H25N
Molecular Weight363.50 g/mol
Exact Mass363.20
IUPAC Name7-(4-cyclohexylphenyl)-1-phenylisoquinoline
SMILESc1ccc(-c2nccc3ccc(-c4ccc(C5CCCCC5)cc4)cc23)cc1
InChIInChI=1S/C27H25N/c1-3-7-20(8-4-1)21-11-13-22(14-12-21)25-16-15-23-17-18-28-27(26(23)19-25)24-9-5-2-6-10-24/h2,5-6,9-20H,1,3-4,7-8H2
InChIKeyKZTSFZHVKNNEJN-UHFFFAOYSA-N
XLogP7.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclohexylphenyl)-1-phenylisoquinoline?
The IUPAC name of 7-(4-cyclohexylphenyl)-1-phenylisoquinoline (CID 156674472) is 7-(4-cyclohexylphenyl)-1-phenylisoquinoline.
What is the SMILES notation for 7-(4-cyclohexylphenyl)-1-phenylisoquinoline?
The canonical SMILES for 7-(4-cyclohexylphenyl)-1-phenylisoquinoline is c1ccc(-c2nccc3ccc(-c4ccc(C5CCCCC5)cc4)cc23)cc1.
What is the InChIKey of 7-(4-cyclohexylphenyl)-1-phenylisoquinoline?
The InChIKey is KZTSFZHVKNNEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N/c1-3-7-20(8-4-1)21-11-13-22(14-12-21)25-16-15-23-17-18-28-27(26(23)19-25)24-9-5-2-6-10-24/h2,5-6,9-20H,1,3-4,7-8H2.
What are the key properties of 7-(4-cyclohexylphenyl)-1-phenylisoquinoline?
7-(4-cyclohexylphenyl)-1-phenylisoquinoline has a molecular weight of 363.50 g/mol, XLogP of 7.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclohexylphenyl)-1-phenylisoquinoline is sourced from PubChem (CID 156674472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).