2,6-diphenyl-4-[3-(4-phenyl-1,2-dihydropyridin-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]pyridine

C45H33N3 — CID 165154943

IUPAC2,6-diphenyl-4-[3-(4-phenyl-1,2-dihydropyridin-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]pyridine
SMILESC1=CC(c2ccccc2)=CC(c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc(-c3cc(-c4ccccc4)ccn3)c2)N1
InChIInChI=1S/C45H33N3/c1-5-13-32(14-6-1)36-21-23-46-42(28-36)40-25-38(26-41(27-40)43-29-37(22-24-47-43)33-15-7-2-8-16-33)39-30-44(34-17-9-3-10-18-34)48-45(31-39)35-19-11-4-12-20-35/h1-31,42,46H
InChIKeyBBQMYBNBEOQWHK-UHFFFAOYSA-N
MW615.78 g/mol
LogP11.05
Rot. Bonds7

About 2,6-diphenyl-4-[3-(4-phenyl-1,2-dihydropyridin-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]pyridine

2,6-diphenyl-4-[3-(4-phenyl-1,2-dihydropyridin-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]pyridine (PubChem CID 165154943) has the molecular formula C45H33N3 and a molecular weight of 615.78 g/mol. Its IUPAC name is 2,6-diphenyl-4-[3-(4-phenyl-1,2-dihydropyridin-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]pyridine.

Molecular Properties

Compound Name2,6-diphenyl-4-[3-(4-phenyl-1,2-dihydropyridin-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]pyridine
PubChem CID165154943
Molecular FormulaC45H33N3
Molecular Weight615.78 g/mol
Exact Mass615.27
IUPAC Name2,6-diphenyl-4-[3-(4-phenyl-1,2-dihydropyridin-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]pyridine
SMILESC1=CC(c2ccccc2)=CC(c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc(-c3cc(-c4ccccc4)ccn3)c2)N1
InChIInChI=1S/C45H33N3/c1-5-13-32(14-6-1)36-21-23-46-42(28-36)40-25-38(26-41(27-40)43-29-37(22-24-47-43)33-15-7-2-8-16-33)39-30-44(34-17-9-3-10-18-34)48-45(31-39)35-19-11-4-12-20-35/h1-31,42,46H
InChIKeyBBQMYBNBEOQWHK-UHFFFAOYSA-N
XLogP11.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.78
LogP ≤ 511.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-1,2-dihydropyridine
CID 18001057
2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine
CID 154599724
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
2,6-diphenyl-4-[3-(3-phenylphenyl)phenyl]pyridine
CID 58943255
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704
4-(3-phenylphenyl)-2-[4-[2-[3-[2-[4-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434672
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
4-[4-[8-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]dibenzothiophen-2-yl]phenyl]-2,6-diphenylpyridine
CID 130440147

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-[3-(4-phenyl-1,2-dihydropyridin-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]pyridine?
The IUPAC name of 2,6-diphenyl-4-[3-(4-phenyl-1,2-dihydropyridin-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]pyridine (CID 165154943) is 2,6-diphenyl-4-[3-(4-phenyl-1,2-dihydropyridin-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]pyridine.
What is the SMILES notation for 2,6-diphenyl-4-[3-(4-phenyl-1,2-dihydropyridin-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]pyridine?
The canonical SMILES for 2,6-diphenyl-4-[3-(4-phenyl-1,2-dihydropyridin-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]pyridine is C1=CC(c2ccccc2)=CC(c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc(-c3cc(-c4ccccc4)ccn3)c2)N1.
What is the InChIKey of 2,6-diphenyl-4-[3-(4-phenyl-1,2-dihydropyridin-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]pyridine?
The InChIKey is BBQMYBNBEOQWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N3/c1-5-13-32(14-6-1)36-21-23-46-42(28-36)40-25-38(26-41(27-40)43-29-37(22-24-47-43)33-15-7-2-8-16-33)39-30-44(34-17-9-3-10-18-34)48-45(31-39)35-19-11-4-12-20-35/h1-31,42,46H.
What are the key properties of 2,6-diphenyl-4-[3-(4-phenyl-1,2-dihydropyridin-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]pyridine?
2,6-diphenyl-4-[3-(4-phenyl-1,2-dihydropyridin-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]pyridine has a molecular weight of 615.78 g/mol, XLogP of 11.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4-[3-(4-phenyl-1,2-dihydropyridin-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]pyridine is sourced from PubChem (CID 165154943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).