4-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine

C40H30N2 — CID 122431199

IUPAC4-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine
SMILESC1=CCNC(c2ccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc2)=C1
InChIInChI=1S/C40H30N2/c1-4-12-29(13-5-1)34-24-35(30-19-21-33(22-20-30)38-18-10-11-23-41-38)26-36(25-34)37-27-39(31-14-6-2-7-15-31)42-40(28-37)32-16-8-3-9-17-32/h1-22,24-28,41H,23H2
InChIKeyOTZXERMINMLITG-UHFFFAOYSA-N
MW538.69 g/mol
LogP9.92
Rot. Bonds6

About 4-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine

4-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine (PubChem CID 122431199) has the molecular formula C40H30N2 and a molecular weight of 538.69 g/mol. Its IUPAC name is 4-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine
PubChem CID122431199
Molecular FormulaC40H30N2
Molecular Weight538.69 g/mol
Exact Mass538.24
IUPAC Name4-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine
SMILESC1=CCNC(c2ccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc2)=C1
InChIInChI=1S/C40H30N2/c1-4-12-29(13-5-1)34-24-35(30-19-21-33(22-20-30)38-18-10-11-23-41-38)26-36(25-34)37-27-39(31-14-6-2-7-15-31)42-40(28-37)32-16-8-3-9-17-32/h1-22,24-28,41H,23H2
InChIKeyOTZXERMINMLITG-UHFFFAOYSA-N
XLogP9.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 59.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
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
2-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,2-dihydropyrimidine
CID 130184177
2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine
CID 154599724
2,6-diphenyl-4-[3-(3-phenylphenyl)phenyl]pyridine
CID 58943255
2-[11-(1,2-dihydropyridin-6-yl)-18,24-diphenyl-8,21-dithiapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine
CID 118860842
2-[3-anthracen-2-yl-5-(1,2-dihydropyridin-6-yl)phenyl]-4,6-diphenyl-1,2-dihydropyrimidine
CID 118363110
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine (CID 122431199) is 4-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine is C1=CCNC(c2ccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc2)=C1.
What is the InChIKey of 4-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine?
The InChIKey is OTZXERMINMLITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2/c1-4-12-29(13-5-1)34-24-35(30-19-21-33(22-20-30)38-18-10-11-23-41-38)26-36(25-34)37-27-39(31-14-6-2-7-15-31)42-40(28-37)32-16-8-3-9-17-32/h1-22,24-28,41H,23H2.
What are the key properties of 4-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine?
4-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine has a molecular weight of 538.69 g/mol, XLogP of 9.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 122431199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).