4-(3,5-ditert-butylphenyl)-2-naphthalen-2-yl-6-pyridin-2-ylpyridine

C34H34N2 — CID 132607748

IUPAC4-(3,5-ditert-butylphenyl)-2-naphthalen-2-yl-6-pyridin-2-ylpyridine
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccccn3)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C34H34N2/c1-33(2,3)28-18-26(19-29(22-28)34(4,5)6)27-20-31(36-32(21-27)30-13-9-10-16-35-30)25-15-14-23-11-7-8-12-24(23)17-25/h7-22H,1-6H3
InChIKeyHYWZMZXESAFIGK-UHFFFAOYSA-N
MW470.66 g/mol
LogP9.23
Rot. Bonds3

About 4-(3,5-ditert-butylphenyl)-2-naphthalen-2-yl-6-pyridin-2-ylpyridine

4-(3,5-ditert-butylphenyl)-2-naphthalen-2-yl-6-pyridin-2-ylpyridine (PubChem CID 132607748) has the molecular formula C34H34N2 and a molecular weight of 470.66 g/mol. Its IUPAC name is 4-(3,5-ditert-butylphenyl)-2-naphthalen-2-yl-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(3,5-ditert-butylphenyl)-2-naphthalen-2-yl-6-pyridin-2-ylpyridine
PubChem CID132607748
Molecular FormulaC34H34N2
Molecular Weight470.66 g/mol
Exact Mass470.27
IUPAC Name4-(3,5-ditert-butylphenyl)-2-naphthalen-2-yl-6-pyridin-2-ylpyridine
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccccn3)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C34H34N2/c1-33(2,3)28-18-26(19-29(22-28)34(4,5)6)27-20-31(36-32(21-27)30-13-9-10-16-35-30)25-15-14-23-11-7-8-12-24(23)17-25/h7-22H,1-6H3
InChIKeyHYWZMZXESAFIGK-UHFFFAOYSA-N
XLogP9.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-(4-tert-butylphenyl)-2,6-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyridin-1-ium
CID 132525493
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
4-[4-[3-[3,5-bis[3-[3,5-bis[3-(4-tert-butylphenoxy)propoxy]phenoxy]propoxy]phenoxy]propoxy]phenyl]-2,6-dipyridin-2-ylpyridine
CID 101086781
boric acid;2-naphthalen-2-ylpyridine
CID 175005821
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine
CID 166685120
2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine
CID 58672250
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-2-pyridinyl]quinoline
CID 122416232
4-[4-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122221010
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
2-[6-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-2-yl]-9-phenyl-1,10-phenanthroline
CID 174135071
4-(3,5-dipyridin-2-ylphenyl)-2,6-bis(4-pyridin-2-ylphenyl)pyridine
CID 118582537

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-ditert-butylphenyl)-2-naphthalen-2-yl-6-pyridin-2-ylpyridine?
The IUPAC name of 4-(3,5-ditert-butylphenyl)-2-naphthalen-2-yl-6-pyridin-2-ylpyridine (CID 132607748) is 4-(3,5-ditert-butylphenyl)-2-naphthalen-2-yl-6-pyridin-2-ylpyridine.
What is the SMILES notation for 4-(3,5-ditert-butylphenyl)-2-naphthalen-2-yl-6-pyridin-2-ylpyridine?
The canonical SMILES for 4-(3,5-ditert-butylphenyl)-2-naphthalen-2-yl-6-pyridin-2-ylpyridine is CC(C)(C)c1cc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccccn3)c2)cc(C(C)(C)C)c1.
What is the InChIKey of 4-(3,5-ditert-butylphenyl)-2-naphthalen-2-yl-6-pyridin-2-ylpyridine?
The InChIKey is HYWZMZXESAFIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2/c1-33(2,3)28-18-26(19-29(22-28)34(4,5)6)27-20-31(36-32(21-27)30-13-9-10-16-35-30)25-15-14-23-11-7-8-12-24(23)17-25/h7-22H,1-6H3.
What are the key properties of 4-(3,5-ditert-butylphenyl)-2-naphthalen-2-yl-6-pyridin-2-ylpyridine?
4-(3,5-ditert-butylphenyl)-2-naphthalen-2-yl-6-pyridin-2-ylpyridine has a molecular weight of 470.66 g/mol, XLogP of 9.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-ditert-butylphenyl)-2-naphthalen-2-yl-6-pyridin-2-ylpyridine is sourced from PubChem (CID 132607748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).