2,4-diphenyl-6-[2-[[2-(4-phenyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine

C41H30N2 — CID 161466616

IUPAC2,4-diphenyl-6-[2-[[2-(4-phenyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine
SMILESc1ccc(-c2ccnc(-c3ccccc3Cc3ccccc3-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C41H30N2/c1-4-14-30(15-5-1)33-24-25-42-40(27-33)37-22-12-10-20-34(37)26-35-21-11-13-23-38(35)41-29-36(31-16-6-2-7-17-31)28-39(43-41)32-18-8-3-9-19-32/h1-25,27-29H,26H2
InChIKeyQKLHYJOIKMQSHD-UHFFFAOYSA-N
MW550.71 g/mol
LogP10.40
Rot. Bonds7

About 2,4-diphenyl-6-[2-[[2-(4-phenyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine

2,4-diphenyl-6-[2-[[2-(4-phenyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine (PubChem CID 161466616) has the molecular formula C41H30N2 and a molecular weight of 550.71 g/mol. Its IUPAC name is 2,4-diphenyl-6-[2-[[2-(4-phenyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine.

Molecular Properties

Compound Name2,4-diphenyl-6-[2-[[2-(4-phenyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine
PubChem CID161466616
Molecular FormulaC41H30N2
Molecular Weight550.71 g/mol
Exact Mass550.24
IUPAC Name2,4-diphenyl-6-[2-[[2-(4-phenyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine
SMILESc1ccc(-c2ccnc(-c3ccccc3Cc3ccccc3-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C41H30N2/c1-4-14-30(15-5-1)33-24-25-42-40(27-33)37-22-12-10-20-34(37)26-35-21-11-13-23-38(35)41-29-36(31-16-6-2-7-17-31)28-39(43-41)32-18-8-3-9-19-32/h1-25,27-29H,26H2
InChIKeyQKLHYJOIKMQSHD-UHFFFAOYSA-N
XLogP10.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms43
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.71
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[2-[[2-(4-phenyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine?
The IUPAC name of 2,4-diphenyl-6-[2-[[2-(4-phenyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine (CID 161466616) is 2,4-diphenyl-6-[2-[[2-(4-phenyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine.
What is the SMILES notation for 2,4-diphenyl-6-[2-[[2-(4-phenyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine?
The canonical SMILES for 2,4-diphenyl-6-[2-[[2-(4-phenyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine is c1ccc(-c2ccnc(-c3ccccc3Cc3ccccc3-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[2-[[2-(4-phenyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine?
The InChIKey is QKLHYJOIKMQSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2/c1-4-14-30(15-5-1)33-24-25-42-40(27-33)37-22-12-10-20-34(37)26-35-21-11-13-23-38(35)41-29-36(31-16-6-2-7-17-31)28-39(43-41)32-18-8-3-9-19-32/h1-25,27-29H,26H2.
What are the key properties of 2,4-diphenyl-6-[2-[[2-(4-phenyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine?
2,4-diphenyl-6-[2-[[2-(4-phenyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine has a molecular weight of 550.71 g/mol, XLogP of 10.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[2-[[2-(4-phenyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine is sourced from PubChem (CID 161466616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).