8-methoxy-3,5,7-tris(3-pyridin-3-ylphenyl)quinoline

C43H30N4O — CID 146923673

IUPAC8-methoxy-3,5,7-tris(3-pyridin-3-ylphenyl)quinoline
SMILESCOc1c(-c2cccc(-c3cccnc3)c2)cc(-c2cccc(-c3cccnc3)c2)c2cc(-c3cccc(-c4cccnc4)c3)cnc12
InChIInChI=1S/C43H30N4O/c1-48-43-40(34-13-4-10-31(22-34)37-16-7-19-46-27-37)24-39(33-12-3-9-30(21-33)36-15-6-18-45-26-36)41-23-38(28-47-42(41)43)32-11-2-8-29(20-32)35-14-5-17-44-25-35/h2-28H,1H3
InChIKeyADRDMFCXGZALMR-UHFFFAOYSA-N
MW618.74 g/mol
LogP10.43
Rot. Bonds7

About 8-methoxy-3,5,7-tris(3-pyridin-3-ylphenyl)quinoline

8-methoxy-3,5,7-tris(3-pyridin-3-ylphenyl)quinoline (PubChem CID 146923673) has the molecular formula C43H30N4O and a molecular weight of 618.74 g/mol. Its IUPAC name is 8-methoxy-3,5,7-tris(3-pyridin-3-ylphenyl)quinoline.

Molecular Properties

Compound Name8-methoxy-3,5,7-tris(3-pyridin-3-ylphenyl)quinoline
PubChem CID146923673
Molecular FormulaC43H30N4O
Molecular Weight618.74 g/mol
Exact Mass618.24
IUPAC Name8-methoxy-3,5,7-tris(3-pyridin-3-ylphenyl)quinoline
SMILESCOc1c(-c2cccc(-c3cccnc3)c2)cc(-c2cccc(-c3cccnc3)c2)c2cc(-c3cccc(-c4cccnc4)c3)cnc12
InChIInChI=1S/C43H30N4O/c1-48-43-40(34-13-4-10-31(22-34)37-16-7-19-46-27-37)24-39(33-12-3-9-30(21-33)36-15-6-18-45-26-36)41-23-38(28-47-42(41)43)32-11-2-8-29(20-32)35-14-5-17-44-25-35/h2-28H,1H3
InChIKeyADRDMFCXGZALMR-UHFFFAOYSA-N
XLogP10.43
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.74
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,5,7-tris(3-pyridin-3-ylphenyl)quinoline?
The IUPAC name of 8-methoxy-3,5,7-tris(3-pyridin-3-ylphenyl)quinoline (CID 146923673) is 8-methoxy-3,5,7-tris(3-pyridin-3-ylphenyl)quinoline.
What is the SMILES notation for 8-methoxy-3,5,7-tris(3-pyridin-3-ylphenyl)quinoline?
The canonical SMILES for 8-methoxy-3,5,7-tris(3-pyridin-3-ylphenyl)quinoline is COc1c(-c2cccc(-c3cccnc3)c2)cc(-c2cccc(-c3cccnc3)c2)c2cc(-c3cccc(-c4cccnc4)c3)cnc12.
What is the InChIKey of 8-methoxy-3,5,7-tris(3-pyridin-3-ylphenyl)quinoline?
The InChIKey is ADRDMFCXGZALMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N4O/c1-48-43-40(34-13-4-10-31(22-34)37-16-7-19-46-27-37)24-39(33-12-3-9-30(21-33)36-15-6-18-45-26-36)41-23-38(28-47-42(41)43)32-11-2-8-29(20-32)35-14-5-17-44-25-35/h2-28H,1H3.
What are the key properties of 8-methoxy-3,5,7-tris(3-pyridin-3-ylphenyl)quinoline?
8-methoxy-3,5,7-tris(3-pyridin-3-ylphenyl)quinoline has a molecular weight of 618.74 g/mol, XLogP of 10.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,5,7-tris(3-pyridin-3-ylphenyl)quinoline is sourced from PubChem (CID 146923673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).