8-(4-methoxy-2-phenylphenyl)-3-[8-(4-methoxy-2-phenylphenyl)isoquinolin-3-yl]isoquinoline

C44H32N2O2 — CID 91259614

IUPAC8-(4-methoxy-2-phenylphenyl)-3-[8-(4-methoxy-2-phenylphenyl)isoquinolin-3-yl]isoquinoline
SMILESCOc1ccc(-c2cccc3cc(-c4cc5cccc(-c6ccc(OC)cc6-c6ccccc6)c5cn4)ncc23)c(-c2ccccc2)c1
InChIInChI=1S/C44H32N2O2/c1-47-33-19-21-37(39(25-33)29-11-5-3-6-12-29)35-17-9-15-31-23-43(45-27-41(31)35)44-24-32-16-10-18-36(42(32)28-46-44)38-22-20-34(48-2)26-40(38)30-13-7-4-8-14-30/h3-28H,1-2H3
InChIKeyNDXDEFFWBQQTLF-UHFFFAOYSA-N
MW620.75 g/mol
LogP11.14
Rot. Bonds7

About 8-(4-methoxy-2-phenylphenyl)-3-[8-(4-methoxy-2-phenylphenyl)isoquinolin-3-yl]isoquinoline

8-(4-methoxy-2-phenylphenyl)-3-[8-(4-methoxy-2-phenylphenyl)isoquinolin-3-yl]isoquinoline (PubChem CID 91259614) has the molecular formula C44H32N2O2 and a molecular weight of 620.75 g/mol. Its IUPAC name is 8-(4-methoxy-2-phenylphenyl)-3-[8-(4-methoxy-2-phenylphenyl)isoquinolin-3-yl]isoquinoline.

Molecular Properties

Compound Name8-(4-methoxy-2-phenylphenyl)-3-[8-(4-methoxy-2-phenylphenyl)isoquinolin-3-yl]isoquinoline
PubChem CID91259614
Molecular FormulaC44H32N2O2
Molecular Weight620.75 g/mol
Exact Mass620.25
IUPAC Name8-(4-methoxy-2-phenylphenyl)-3-[8-(4-methoxy-2-phenylphenyl)isoquinolin-3-yl]isoquinoline
SMILESCOc1ccc(-c2cccc3cc(-c4cc5cccc(-c6ccc(OC)cc6-c6ccccc6)c5cn4)ncc23)c(-c2ccccc2)c1
InChIInChI=1S/C44H32N2O2/c1-47-33-19-21-37(39(25-33)29-11-5-3-6-12-29)35-17-9-15-31-23-43(45-27-41(31)35)44-24-32-16-10-18-36(42(32)28-46-44)38-22-20-34(48-2)26-40(38)30-13-7-4-8-14-30/h3-28H,1-2H3
InChIKeyNDXDEFFWBQQTLF-UHFFFAOYSA-N
XLogP11.14
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.75
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Papaverine
CID 4680
Papaverine Hydrochloride
CID 6084
Coralyne chloride
CID 23306
Coralyne
CID 23307
4-(6-Methoxynaphthalen-2-yl)isoquinoline
CID 24754344
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
6-Methoxy-3-pyridin-4-yl-quinoline
CID 10354094
3-(6-Methoxynaphthalen-2-yl)pyridine
CID 11506923
Pseudopalmatine
CID 644002
6,7-Dimethoxy-1-[(4-methoxyphenyl)methyl]isoquinoline
CID 371187
Papaveraldylamine
CID 38370
3-(6-Methoxynaphthalen-2-yl)-5-phenylpyridine
CID 25034426

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxy-2-phenylphenyl)-3-[8-(4-methoxy-2-phenylphenyl)isoquinolin-3-yl]isoquinoline?
The IUPAC name of 8-(4-methoxy-2-phenylphenyl)-3-[8-(4-methoxy-2-phenylphenyl)isoquinolin-3-yl]isoquinoline (CID 91259614) is 8-(4-methoxy-2-phenylphenyl)-3-[8-(4-methoxy-2-phenylphenyl)isoquinolin-3-yl]isoquinoline.
What is the SMILES notation for 8-(4-methoxy-2-phenylphenyl)-3-[8-(4-methoxy-2-phenylphenyl)isoquinolin-3-yl]isoquinoline?
The canonical SMILES for 8-(4-methoxy-2-phenylphenyl)-3-[8-(4-methoxy-2-phenylphenyl)isoquinolin-3-yl]isoquinoline is COc1ccc(-c2cccc3cc(-c4cc5cccc(-c6ccc(OC)cc6-c6ccccc6)c5cn4)ncc23)c(-c2ccccc2)c1.
What is the InChIKey of 8-(4-methoxy-2-phenylphenyl)-3-[8-(4-methoxy-2-phenylphenyl)isoquinolin-3-yl]isoquinoline?
The InChIKey is NDXDEFFWBQQTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2O2/c1-47-33-19-21-37(39(25-33)29-11-5-3-6-12-29)35-17-9-15-31-23-43(45-27-41(31)35)44-24-32-16-10-18-36(42(32)28-46-44)38-22-20-34(48-2)26-40(38)30-13-7-4-8-14-30/h3-28H,1-2H3.
What are the key properties of 8-(4-methoxy-2-phenylphenyl)-3-[8-(4-methoxy-2-phenylphenyl)isoquinolin-3-yl]isoquinoline?
8-(4-methoxy-2-phenylphenyl)-3-[8-(4-methoxy-2-phenylphenyl)isoquinolin-3-yl]isoquinoline has a molecular weight of 620.75 g/mol, XLogP of 11.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxy-2-phenylphenyl)-3-[8-(4-methoxy-2-phenylphenyl)isoquinolin-3-yl]isoquinoline is sourced from PubChem (CID 91259614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).