2,6-dipyridin-2-yl-4-[4-(3-pyridin-2-yl-5-pyridin-4-ylphenyl)naphthalen-1-yl]pyridine

C41H27N5 — CID 126730917

IUPAC2,6-dipyridin-2-yl-4-[4-(3-pyridin-2-yl-5-pyridin-4-ylphenyl)naphthalen-1-yl]pyridine
SMILESc1ccc(-c2cc(-c3ccncc3)cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)c4ccccc34)c2)nc1
InChIInChI=1S/C41H27N5/c1-2-10-36-34(31-26-40(38-12-4-7-19-44-38)46-41(27-31)39-13-5-8-20-45-39)15-14-33(35(36)9-1)30-23-29(28-16-21-42-22-17-28)24-32(25-30)37-11-3-6-18-43-37/h1-27H
InChIKeyNIJUUPQSRMSXAE-UHFFFAOYSA-N
MW589.70 g/mol
LogP9.82
Rot. Bonds6

About 2,6-dipyridin-2-yl-4-[4-(3-pyridin-2-yl-5-pyridin-4-ylphenyl)naphthalen-1-yl]pyridine

2,6-dipyridin-2-yl-4-[4-(3-pyridin-2-yl-5-pyridin-4-ylphenyl)naphthalen-1-yl]pyridine (PubChem CID 126730917) has the molecular formula C41H27N5 and a molecular weight of 589.70 g/mol. Its IUPAC name is 2,6-dipyridin-2-yl-4-[4-(3-pyridin-2-yl-5-pyridin-4-ylphenyl)naphthalen-1-yl]pyridine.

Molecular Properties

Compound Name2,6-dipyridin-2-yl-4-[4-(3-pyridin-2-yl-5-pyridin-4-ylphenyl)naphthalen-1-yl]pyridine
PubChem CID126730917
Molecular FormulaC41H27N5
Molecular Weight589.70 g/mol
Exact Mass589.23
IUPAC Name2,6-dipyridin-2-yl-4-[4-(3-pyridin-2-yl-5-pyridin-4-ylphenyl)naphthalen-1-yl]pyridine
SMILESc1ccc(-c2cc(-c3ccncc3)cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)c4ccccc34)c2)nc1
InChIInChI=1S/C41H27N5/c1-2-10-36-34(31-26-40(38-12-4-7-19-44-38)46-41(27-31)39-13-5-8-20-45-39)15-14-33(35(36)9-1)30-23-29(28-16-21-42-22-17-28)24-32(25-30)37-11-3-6-18-43-37/h1-27H
InChIKeyNIJUUPQSRMSXAE-UHFFFAOYSA-N
XLogP9.82
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730918
4-[10-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-9-yl]-2,6-dipyridin-2-ylpyridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine;2,4,6-tripyridin-2-ylpyridine
CID 161380228
4-(3,5-dipyridin-2-ylphenyl)-2-phenyl-6-pyridin-2-ylpyridine
CID 23528039
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364714
2,6-dipyridin-2-yl-4-[4-[3-pyridin-2-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyridine
CID 126730919
10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine
CID 146549133
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585
4-(3,5-dipyridin-2-ylphenyl)-2,6-bis(4-pyridin-2-ylphenyl)pyridine
CID 118582537
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730883
4-[4-(12-phenylchrysen-6-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 155655346

Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-2-yl-4-[4-(3-pyridin-2-yl-5-pyridin-4-ylphenyl)naphthalen-1-yl]pyridine?
The IUPAC name of 2,6-dipyridin-2-yl-4-[4-(3-pyridin-2-yl-5-pyridin-4-ylphenyl)naphthalen-1-yl]pyridine (CID 126730917) is 2,6-dipyridin-2-yl-4-[4-(3-pyridin-2-yl-5-pyridin-4-ylphenyl)naphthalen-1-yl]pyridine.
What is the SMILES notation for 2,6-dipyridin-2-yl-4-[4-(3-pyridin-2-yl-5-pyridin-4-ylphenyl)naphthalen-1-yl]pyridine?
The canonical SMILES for 2,6-dipyridin-2-yl-4-[4-(3-pyridin-2-yl-5-pyridin-4-ylphenyl)naphthalen-1-yl]pyridine is c1ccc(-c2cc(-c3ccncc3)cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)c4ccccc34)c2)nc1.
What is the InChIKey of 2,6-dipyridin-2-yl-4-[4-(3-pyridin-2-yl-5-pyridin-4-ylphenyl)naphthalen-1-yl]pyridine?
The InChIKey is NIJUUPQSRMSXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N5/c1-2-10-36-34(31-26-40(38-12-4-7-19-44-38)46-41(27-31)39-13-5-8-20-45-39)15-14-33(35(36)9-1)30-23-29(28-16-21-42-22-17-28)24-32(25-30)37-11-3-6-18-43-37/h1-27H.
What are the key properties of 2,6-dipyridin-2-yl-4-[4-(3-pyridin-2-yl-5-pyridin-4-ylphenyl)naphthalen-1-yl]pyridine?
2,6-dipyridin-2-yl-4-[4-(3-pyridin-2-yl-5-pyridin-4-ylphenyl)naphthalen-1-yl]pyridine has a molecular weight of 589.70 g/mol, XLogP of 9.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipyridin-2-yl-4-[4-(3-pyridin-2-yl-5-pyridin-4-ylphenyl)naphthalen-1-yl]pyridine is sourced from PubChem (CID 126730917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).