[6-[4-[4-[2-(6-methoxy-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]methanol

C38H28N6O2 — CID 90376923

IUPAC[6-[4-[4-[2-(6-methoxy-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]methanol
SMILESCOc1cccc(-c2cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5cccc(CO)n5)c4)cc3)cc(-c3ccccn3)n2)n1
InChIInChI=1S/C38H28N6O2/c1-46-38-13-7-12-33(44-38)37-23-28(21-35(43-37)31-10-3-5-19-40-31)26-16-14-25(15-17-26)27-20-34(30-9-2-4-18-39-30)42-36(22-27)32-11-6-8-29(24-45)41-32/h2-23,45H,24H2,1H3
InChIKeyLVJRABKACBXWAG-UHFFFAOYSA-N
MW600.68 g/mol
LogP7.56
Rot. Bonds8

About [6-[4-[4-[2-(6-methoxy-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]methanol

[6-[4-[4-[2-(6-methoxy-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]methanol (PubChem CID 90376923) has the molecular formula C38H28N6O2 and a molecular weight of 600.68 g/mol. Its IUPAC name is [6-[4-[4-[2-(6-methoxy-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[4-[4-[2-(6-methoxy-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]methanol
PubChem CID90376923
Molecular FormulaC38H28N6O2
Molecular Weight600.68 g/mol
Exact Mass600.23
IUPAC Name[6-[4-[4-[2-(6-methoxy-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]methanol
SMILESCOc1cccc(-c2cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5cccc(CO)n5)c4)cc3)cc(-c3ccccn3)n2)n1
InChIInChI=1S/C38H28N6O2/c1-46-38-13-7-12-33(44-38)37-23-28(21-35(43-37)31-10-3-5-19-40-31)26-16-14-25(15-17-26)27-20-34(30-9-2-4-18-39-30)42-36(22-27)32-11-6-8-29(24-45)41-32/h2-23,45H,24H2,1H3
InChIKeyLVJRABKACBXWAG-UHFFFAOYSA-N
XLogP7.56
TPSA106.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.68
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-[4-[4-[2-(6-methoxy-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]methanol?
The IUPAC name of [6-[4-[4-[2-(6-methoxy-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]methanol (CID 90376923) is [6-[4-[4-[2-(6-methoxy-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[4-[4-[2-(6-methoxy-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[4-[4-[2-(6-methoxy-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]methanol is COc1cccc(-c2cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5cccc(CO)n5)c4)cc3)cc(-c3ccccn3)n2)n1.
What is the InChIKey of [6-[4-[4-[2-(6-methoxy-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]methanol?
The InChIKey is LVJRABKACBXWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N6O2/c1-46-38-13-7-12-33(44-38)37-23-28(21-35(43-37)31-10-3-5-19-40-31)26-16-14-25(15-17-26)27-20-34(30-9-2-4-18-39-30)42-36(22-27)32-11-6-8-29(24-45)41-32/h2-23,45H,24H2,1H3.
What are the key properties of [6-[4-[4-[2-(6-methoxy-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]methanol?
[6-[4-[4-[2-(6-methoxy-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]methanol has a molecular weight of 600.68 g/mol, XLogP of 7.56, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-[4-[2-(6-methoxy-2-pyridinyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]methanol is sourced from PubChem (CID 90376923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).