3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine

C52H36N2 — CID 67990643

IUPAC3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c(-c4ccc(-c5cccnc5)cc4)cc3-c3ccc(-c4cccnc4)cc3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-3-9-37(10-4-1)39-15-23-43(24-16-39)49-33-50(44-25-17-40(18-26-44)38-11-5-2-6-12-38)52(46-29-21-42(22-30-46)48-14-8-32-54-36-48)34-51(49)45-27-19-41(20-28-45)47-13-7-31-53-35-47/h1-36H
InChIKeyGYQSHWIKHWSSIE-UHFFFAOYSA-N
MW688.87 g/mol
LogP13.81
Rot. Bonds8

About 3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine

3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 67990643) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is 3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
PubChem CID67990643
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC Name3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c(-c4ccc(-c5cccnc5)cc4)cc3-c3ccc(-c4cccnc4)cc3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-3-9-37(10-4-1)39-15-23-43(24-16-39)49-33-50(44-25-17-40(18-26-44)38-11-5-2-6-12-38)52(46-29-21-42(22-30-46)48-14-8-32-54-36-48)34-51(49)45-27-19-41(20-28-45)47-13-7-31-53-35-47/h1-36H
InChIKeyGYQSHWIKHWSSIE-UHFFFAOYSA-N
XLogP13.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-diphenylphenyl)pyridine
CID 141411458
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
3-azulen-6-ylpyridine
CID 86232079
4-[4-[2,4-diphenyl-5-(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
CID 67990612
cyclopenta[c]azepine
CID 638010
2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 165168395
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168483
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
CID 171440364
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-pyridin-3-ylphenyl)aniline
CID 134393257
diphenyl-bis(4-pyridin-3-ylphenyl)silane
CID 89499878
3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116854
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine
CID 165168520

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The IUPAC name of 3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (CID 67990643) is 3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The canonical SMILES for 3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c(-c4ccc(-c5cccnc5)cc4)cc3-c3ccc(-c4cccnc4)cc3)cc2)cc1.
What is the InChIKey of 3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The InChIKey is GYQSHWIKHWSSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-3-9-37(10-4-1)39-15-23-43(24-16-39)49-33-50(44-25-17-40(18-26-44)38-11-5-2-6-12-38)52(46-29-21-42(22-30-46)48-14-8-32-54-36-48)34-51(49)45-27-19-41(20-28-45)47-13-7-31-53-35-47/h1-36H.
What are the key properties of 3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine has a molecular weight of 688.87 g/mol, XLogP of 13.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 67990643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).