2-(pyridin-2-ylmethyl)-6-[1-[2-[[6-(pyridin-2-ylmethyl)-2-pyridinyl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxypyridine

C42H30N4O2 — CID 11169536

IUPAC2-(pyridin-2-ylmethyl)-6-[1-[2-[[6-(pyridin-2-ylmethyl)-2-pyridinyl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxypyridine
SMILESc1ccc(Cc2cccc(Oc3ccc4ccccc4c3-c3c(Oc4cccc(Cc5ccccn5)n4)ccc4ccccc34)n2)nc1
InChIInChI=1S/C42H30N4O2/c1-3-17-35-29(11-1)21-23-37(47-39-19-9-15-33(45-39)27-31-13-5-7-25-43-31)41(35)42-36-18-4-2-12-30(36)22-24-38(42)48-40-20-10-16-34(46-40)28-32-14-6-8-26-44-32/h1-26H,27-28H2
InChIKeyZSTZYKAAOBTEQN-UHFFFAOYSA-N
MW622.73 g/mol
LogP10.01
Rot. Bonds9

About 2-(pyridin-2-ylmethyl)-6-[1-[2-[[6-(pyridin-2-ylmethyl)-2-pyridinyl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxypyridine

2-(pyridin-2-ylmethyl)-6-[1-[2-[[6-(pyridin-2-ylmethyl)-2-pyridinyl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxypyridine (PubChem CID 11169536) has the molecular formula C42H30N4O2 and a molecular weight of 622.73 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyl)-6-[1-[2-[[6-(pyridin-2-ylmethyl)-2-pyridinyl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxypyridine.

Molecular Properties

Compound Name2-(pyridin-2-ylmethyl)-6-[1-[2-[[6-(pyridin-2-ylmethyl)-2-pyridinyl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxypyridine
PubChem CID11169536
Molecular FormulaC42H30N4O2
Molecular Weight622.73 g/mol
Exact Mass622.24
IUPAC Name2-(pyridin-2-ylmethyl)-6-[1-[2-[[6-(pyridin-2-ylmethyl)-2-pyridinyl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxypyridine
SMILESc1ccc(Cc2cccc(Oc3ccc4ccccc4c3-c3c(Oc4cccc(Cc5ccccn5)n4)ccc4ccccc34)n2)nc1
InChIInChI=1S/C42H30N4O2/c1-3-17-35-29(11-1)21-23-37(47-39-19-9-15-33(45-39)27-31-13-5-7-25-43-31)41(35)42-36-18-4-2-12-30(36)22-24-38(42)48-40-20-10-16-34(46-40)28-32-14-6-8-26-44-32/h1-26H,27-28H2
InChIKeyZSTZYKAAOBTEQN-UHFFFAOYSA-N
XLogP10.01
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.73
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[4-[2-(2-Isoquinolin-8-ylphenoxy)ethyl]phenyl]isoquinoline
CID 162644445
6-Phenyl-7-(pyridin-3-ylmethoxy)isoquinoline
CID 42618161
6-Phenyl-7-(pyridin-4-ylmethoxy)isoquinoline
CID 42618162
N,N-bis(pyridin-2-ylmethyl)-1-[17-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-4-yl]methanamine
CID 155559938
Isoquinolinium, 1-((4-(5-((6,7-dimethoxy-2-methylisoquinolinium-1-yl)methyl)-2-methoxyphenoxy)phenyl)methyl)-6,7-dimethoxy-2-methyl-
CID 73053
US20240002380, Example 70
CID 167050226
US20240002380, Example 54
CID 167050227
2-phenyl-4-pyridin-3-yl-5H-chromeno[4,3-b]pyridine
CID 53375672
4-pyridin-2-yl-2-pyridin-3-yl-5H-chromeno[4,3-b]pyridine
CID 118719754
12-Oxa-23,26-diazahexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(26),2(11),3,5,7,9,14,16(25),17,19,21,23-dodecaene
CID 132849955
3-(4-Methoxynaphthalen-1-yl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine
CID 137652530
12-Oxa-23,26-diazahexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(26),2(11),3,5,7,9,14,16(25),17,19,21,23-dodecaene;hydrochloride
CID 145984241

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethyl)-6-[1-[2-[[6-(pyridin-2-ylmethyl)-2-pyridinyl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxypyridine?
The IUPAC name of 2-(pyridin-2-ylmethyl)-6-[1-[2-[[6-(pyridin-2-ylmethyl)-2-pyridinyl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxypyridine (CID 11169536) is 2-(pyridin-2-ylmethyl)-6-[1-[2-[[6-(pyridin-2-ylmethyl)-2-pyridinyl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxypyridine.
What is the SMILES notation for 2-(pyridin-2-ylmethyl)-6-[1-[2-[[6-(pyridin-2-ylmethyl)-2-pyridinyl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxypyridine?
The canonical SMILES for 2-(pyridin-2-ylmethyl)-6-[1-[2-[[6-(pyridin-2-ylmethyl)-2-pyridinyl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxypyridine is c1ccc(Cc2cccc(Oc3ccc4ccccc4c3-c3c(Oc4cccc(Cc5ccccn5)n4)ccc4ccccc34)n2)nc1.
What is the InChIKey of 2-(pyridin-2-ylmethyl)-6-[1-[2-[[6-(pyridin-2-ylmethyl)-2-pyridinyl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxypyridine?
The InChIKey is ZSTZYKAAOBTEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4O2/c1-3-17-35-29(11-1)21-23-37(47-39-19-9-15-33(45-39)27-31-13-5-7-25-43-31)41(35)42-36-18-4-2-12-30(36)22-24-38(42)48-40-20-10-16-34(46-40)28-32-14-6-8-26-44-32/h1-26H,27-28H2.
What are the key properties of 2-(pyridin-2-ylmethyl)-6-[1-[2-[[6-(pyridin-2-ylmethyl)-2-pyridinyl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxypyridine?
2-(pyridin-2-ylmethyl)-6-[1-[2-[[6-(pyridin-2-ylmethyl)-2-pyridinyl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxypyridine has a molecular weight of 622.73 g/mol, XLogP of 10.01, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethyl)-6-[1-[2-[[6-(pyridin-2-ylmethyl)-2-pyridinyl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxypyridine is sourced from PubChem (CID 11169536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).