4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine

C46H32N2 — CID 59428704

IUPAC4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C46H32N2/c1-6-16-33(17-7-1)38-26-39(41-29-43(34-18-8-2-9-19-34)47-44(30-41)35-20-10-3-11-21-35)28-40(27-38)42-31-45(36-22-12-4-13-23-36)48-46(32-42)37-24-14-5-15-25-37/h1-32H
InChIKeyIFABDRWCWMFCTL-UHFFFAOYSA-N
MW612.78 g/mol
LogP12.15
Rot. Bonds7

About 4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine

4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine (PubChem CID 59428704) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is 4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
PubChem CID59428704
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC Name4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C46H32N2/c1-6-16-33(17-7-1)38-26-39(41-29-43(34-18-8-2-9-19-34)47-44(30-41)35-20-10-3-11-21-35)28-40(27-38)42-31-45(36-22-12-4-13-23-36)48-46(32-42)37-24-14-5-15-25-37/h1-32H
InChIKeyIFABDRWCWMFCTL-UHFFFAOYSA-N
XLogP12.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine (CID 59428704) is 4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine is c1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine?
The InChIKey is IFABDRWCWMFCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-6-16-33(17-7-1)38-26-39(41-29-43(34-18-8-2-9-19-34)47-44(30-41)35-20-10-3-11-21-35)28-40(27-38)42-31-45(36-22-12-4-13-23-36)48-46(32-42)37-24-14-5-15-25-37/h1-32H.
What are the key properties of 4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine?
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine has a molecular weight of 612.78 g/mol, XLogP of 12.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 59428704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).