1-(2-methoxyphenyl)-3,4-diphenylisoquinoline

C28H21NO — CID 102102468

IUPAC1-(2-methoxyphenyl)-3,4-diphenylisoquinoline
SMILESCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C28H21NO/c1-30-25-19-11-10-18-24(25)28-23-17-9-8-16-22(23)26(20-12-4-2-5-13-20)27(29-28)21-14-6-3-7-15-21/h2-19H,1H3
InChIKeyTYYCJFNJGOERNC-UHFFFAOYSA-N
MW387.48 g/mol
LogP7.24
Rot. Bonds4

About 1-(2-methoxyphenyl)-3,4-diphenylisoquinoline

1-(2-methoxyphenyl)-3,4-diphenylisoquinoline (PubChem CID 102102468) has the molecular formula C28H21NO and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3,4-diphenylisoquinoline.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3,4-diphenylisoquinoline
PubChem CID102102468
Molecular FormulaC28H21NO
Molecular Weight387.48 g/mol
Exact Mass387.16
IUPAC Name1-(2-methoxyphenyl)-3,4-diphenylisoquinoline
SMILESCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C28H21NO/c1-30-25-19-11-10-18-24(25)28-23-17-9-8-16-22(23)26(20-12-4-2-5-13-20)27(29-28)21-14-6-3-7-15-21/h2-19H,1H3
InChIKeyTYYCJFNJGOERNC-UHFFFAOYSA-N
XLogP7.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene
CID 11523963
5-phenylindeno[1,2-c]isoquinolin-11-one
CID 154625535
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline
CID 11418585
2,4-diphenyl-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 102532372
4-methoxy-2-phenyl-3-pyridin-4-ylquinoline
CID 139651635
2,3-dimethoxy-9,10-diphenylphenanthrene
CID 86084534
1-methoxy-9,10-diphenylphenanthrene
CID 11439822
8-methoxy-7,12-diphenylbenzo[k]fluoranthene
CID 151612057
5-(2-methoxyphenyl)-3-methyl-2-phenylpyrazine
CID 68842522
2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine
CID 93216518
4-chloro-3-iodo-2-(2-methoxyphenyl)quinoline
CID 139213783
2-(2-methoxyphenyl)-6-(6-phenyl-2-pyridinyl)pyridine
CID 23135803

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3,4-diphenylisoquinoline?
The IUPAC name of 1-(2-methoxyphenyl)-3,4-diphenylisoquinoline (CID 102102468) is 1-(2-methoxyphenyl)-3,4-diphenylisoquinoline.
What is the SMILES notation for 1-(2-methoxyphenyl)-3,4-diphenylisoquinoline?
The canonical SMILES for 1-(2-methoxyphenyl)-3,4-diphenylisoquinoline is COc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 1-(2-methoxyphenyl)-3,4-diphenylisoquinoline?
The InChIKey is TYYCJFNJGOERNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO/c1-30-25-19-11-10-18-24(25)28-23-17-9-8-16-22(23)26(20-12-4-2-5-13-20)27(29-28)21-14-6-3-7-15-21/h2-19H,1H3.
What are the key properties of 1-(2-methoxyphenyl)-3,4-diphenylisoquinoline?
1-(2-methoxyphenyl)-3,4-diphenylisoquinoline has a molecular weight of 387.48 g/mol, XLogP of 7.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3,4-diphenylisoquinoline is sourced from PubChem (CID 102102468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).