4-phenyl-2,6-bis(4-phenyl-2-pyridinyl)pyridine

C33H23N3 — CID 3015176

IUPAC4-phenyl-2,6-bis(4-phenyl-2-pyridinyl)pyridine
SMILESc1ccc(-c2ccnc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)ccn4)n3)c2)cc1
InChIInChI=1S/C33H23N3/c1-4-10-24(11-5-1)27-16-18-34-30(20-27)32-22-29(26-14-8-3-9-15-26)23-33(36-32)31-21-28(17-19-35-31)25-12-6-2-7-13-25/h1-23H
InChIKeyVDJNDMHRAOTPKU-UHFFFAOYSA-N
MW461.57 g/mol
LogP8.21
Rot. Bonds5

About 4-phenyl-2,6-bis(4-phenyl-2-pyridinyl)pyridine

4-phenyl-2,6-bis(4-phenyl-2-pyridinyl)pyridine (PubChem CID 3015176) has the molecular formula C33H23N3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 4-phenyl-2,6-bis(4-phenyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name4-phenyl-2,6-bis(4-phenyl-2-pyridinyl)pyridine
PubChem CID3015176
Molecular FormulaC33H23N3
Molecular Weight461.57 g/mol
Exact Mass461.19
IUPAC Name4-phenyl-2,6-bis(4-phenyl-2-pyridinyl)pyridine
SMILESc1ccc(-c2ccnc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)ccn4)n3)c2)cc1
InChIInChI=1S/C33H23N3/c1-4-10-24(11-5-1)27-16-18-34-30(20-27)32-22-29(26-14-8-3-9-15-26)23-33(36-32)31-21-28(17-19-35-31)25-12-6-2-7-13-25/h1-23H
InChIKeyVDJNDMHRAOTPKU-UHFFFAOYSA-N
XLogP8.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2,6-bis(4-phenyl-2-pyridinyl)pyridine?
The IUPAC name of 4-phenyl-2,6-bis(4-phenyl-2-pyridinyl)pyridine (CID 3015176) is 4-phenyl-2,6-bis(4-phenyl-2-pyridinyl)pyridine.
What is the SMILES notation for 4-phenyl-2,6-bis(4-phenyl-2-pyridinyl)pyridine?
The canonical SMILES for 4-phenyl-2,6-bis(4-phenyl-2-pyridinyl)pyridine is c1ccc(-c2ccnc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)ccn4)n3)c2)cc1.
What is the InChIKey of 4-phenyl-2,6-bis(4-phenyl-2-pyridinyl)pyridine?
The InChIKey is VDJNDMHRAOTPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3/c1-4-10-24(11-5-1)27-16-18-34-30(20-27)32-22-29(26-14-8-3-9-15-26)23-33(36-32)31-21-28(17-19-35-31)25-12-6-2-7-13-25/h1-23H.
What are the key properties of 4-phenyl-2,6-bis(4-phenyl-2-pyridinyl)pyridine?
4-phenyl-2,6-bis(4-phenyl-2-pyridinyl)pyridine has a molecular weight of 461.57 g/mol, XLogP of 8.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2,6-bis(4-phenyl-2-pyridinyl)pyridine is sourced from PubChem (CID 3015176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).