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

C47H34N2 — CID 58692950

IUPAC4-[3-(2,6-diphenyl-4-pyridinyl)-2-methyl-5-phenylphenyl]-2,6-diphenylpyridine
SMILESCc1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc(-c2ccccc2)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C47H34N2/c1-33-42(40-29-44(35-19-9-3-10-20-35)48-45(30-40)36-21-11-4-12-22-36)27-39(34-17-7-2-8-18-34)28-43(33)41-31-46(37-23-13-5-14-24-37)49-47(32-41)38-25-15-6-16-26-38/h2-32H,1H3
InChIKeyQMHOHTWNUCXUEN-UHFFFAOYSA-N
MW626.80 g/mol
LogP12.45
Rot. Bonds7

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

4-[3-(2,6-diphenyl-4-pyridinyl)-2-methyl-5-phenylphenyl]-2,6-diphenylpyridine (PubChem CID 58692950) has the molecular formula C47H34N2 and a molecular weight of 626.80 g/mol. Its IUPAC name is 4-[3-(2,6-diphenyl-4-pyridinyl)-2-methyl-5-phenylphenyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[3-(2,6-diphenyl-4-pyridinyl)-2-methyl-5-phenylphenyl]-2,6-diphenylpyridine
PubChem CID58692950
Molecular FormulaC47H34N2
Molecular Weight626.80 g/mol
Exact Mass626.27
IUPAC Name4-[3-(2,6-diphenyl-4-pyridinyl)-2-methyl-5-phenylphenyl]-2,6-diphenylpyridine
SMILESCc1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc(-c2ccccc2)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C47H34N2/c1-33-42(40-29-44(35-19-9-3-10-20-35)48-45(30-40)36-21-11-4-12-22-36)27-39(34-17-7-2-8-18-34)28-43(33)41-31-46(37-23-13-5-14-24-37)49-47(32-41)38-25-15-6-16-26-38/h2-32H,1H3
InChIKeyQMHOHTWNUCXUEN-UHFFFAOYSA-N
XLogP12.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.80
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704
2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine
CID 154599724
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
5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene
CID 58760870
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
4-[4-(2,6-diphenyl-4-pyridinyl)-2,3,5,6-tetramethylphenyl]-2,6-diphenylpyridine
CID 58692905
2-methyl-4,6-diphenylpyridine
CID 618669
4-(3,5-dimethylphenyl)-2,6-diphenylpyridine
CID 132529641
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-diphenyl-4-pyridinyl)-2-methyl-5-phenylphenyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[3-(2,6-diphenyl-4-pyridinyl)-2-methyl-5-phenylphenyl]-2,6-diphenylpyridine (CID 58692950) is 4-[3-(2,6-diphenyl-4-pyridinyl)-2-methyl-5-phenylphenyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[3-(2,6-diphenyl-4-pyridinyl)-2-methyl-5-phenylphenyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[3-(2,6-diphenyl-4-pyridinyl)-2-methyl-5-phenylphenyl]-2,6-diphenylpyridine is Cc1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc(-c2ccccc2)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1.
What is the InChIKey of 4-[3-(2,6-diphenyl-4-pyridinyl)-2-methyl-5-phenylphenyl]-2,6-diphenylpyridine?
The InChIKey is QMHOHTWNUCXUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2/c1-33-42(40-29-44(35-19-9-3-10-20-35)48-45(30-40)36-21-11-4-12-22-36)27-39(34-17-7-2-8-18-34)28-43(33)41-31-46(37-23-13-5-14-24-37)49-47(32-41)38-25-15-6-16-26-38/h2-32H,1H3.
What are the key properties of 4-[3-(2,6-diphenyl-4-pyridinyl)-2-methyl-5-phenylphenyl]-2,6-diphenylpyridine?
4-[3-(2,6-diphenyl-4-pyridinyl)-2-methyl-5-phenylphenyl]-2,6-diphenylpyridine has a molecular weight of 626.80 g/mol, XLogP of 12.45, 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)-2-methyl-5-phenylphenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 58692950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).