3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline

C29H23NO2 — CID 56596003

IUPAC3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline
SMILESCOc1cc2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cnc2cc1OC
InChIInChI=1S/C29H23NO2/c1-31-28-17-25-16-26(19-30-27(25)18-29(28)32-2)24-14-22(20-9-5-3-6-10-20)13-23(15-24)21-11-7-4-8-12-21/h3-19H,1-2H3
InChIKeyCABMRFQSSYYWFM-UHFFFAOYSA-N
MW417.51 g/mol
LogP7.25
Rot. Bonds5

About 3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline

3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline (PubChem CID 56596003) has the molecular formula C29H23NO2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline.

Molecular Properties

Compound Name3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline
PubChem CID56596003
Molecular FormulaC29H23NO2
Molecular Weight417.51 g/mol
Exact Mass417.17
IUPAC Name3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline
SMILESCOc1cc2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cnc2cc1OC
InChIInChI=1S/C29H23NO2/c1-31-28-17-25-16-26(19-30-27(25)18-29(28)32-2)24-14-22(20-9-5-3-6-10-20)13-23(15-24)21-11-7-4-8-12-21/h3-19H,1-2H3
InChIKeyCABMRFQSSYYWFM-UHFFFAOYSA-N
XLogP7.25
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline?
The IUPAC name of 3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline (CID 56596003) is 3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline.
What is the SMILES notation for 3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline?
The canonical SMILES for 3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline is COc1cc2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cnc2cc1OC.
What is the InChIKey of 3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline?
The InChIKey is CABMRFQSSYYWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO2/c1-31-28-17-25-16-26(19-30-27(25)18-29(28)32-2)24-14-22(20-9-5-3-6-10-20)13-23(15-24)21-11-7-4-8-12-21/h3-19H,1-2H3.
What are the key properties of 3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline?
3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline has a molecular weight of 417.51 g/mol, XLogP of 7.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline is sourced from PubChem (CID 56596003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).