2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine

C40H26N2 — CID 118583016

IUPAC2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc(-c3cccnc3)c2)nc1
InChIInChI=1S/C40H26N2/c1-2-11-36-34(9-1)35-10-3-4-12-37(35)39-25-29(18-19-38(36)39)27-14-16-28(17-15-27)31-22-32(30-8-7-20-41-26-30)24-33(23-31)40-13-5-6-21-42-40/h1-26H
InChIKeyGPUODAAMAPYDOZ-UHFFFAOYSA-N
MW534.66 g/mol
LogP10.60
Rot. Bonds4

About 2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine

2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine (PubChem CID 118583016) has the molecular formula C40H26N2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine
PubChem CID118583016
Molecular FormulaC40H26N2
Molecular Weight534.66 g/mol
Exact Mass534.21
IUPAC Name2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc(-c3cccnc3)c2)nc1
InChIInChI=1S/C40H26N2/c1-2-11-36-34(9-1)35-10-3-4-12-37(35)39-25-29(18-19-38(36)39)27-14-16-28(17-15-27)31-22-32(30-8-7-20-41-26-30)24-33(23-31)40-13-5-6-21-42-40/h1-26H
InChIKeyGPUODAAMAPYDOZ-UHFFFAOYSA-N
XLogP10.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine
CID 118014153
2-[3-pyridin-3-yl-5-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine;3-[3-pyridin-3-yl-5-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine;4-[3-pyridin-4-yl-5-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine
CID 161303910
2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine
CID 159367402
2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine
CID 158248176
2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 153435461
bis(2-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine);3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine;4-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine
CID 167601942
2-[4-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 58568854
2,6-dipyridin-2-yl-4-[4-(3-pyridin-3-ylphenyl)phenyl]pyridine
CID 126730922
2-pyridin-3-yl-6-[3-[3-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]-5-triphenylen-2-ylphenyl]phenyl]pyridine
CID 164785689
2,6-diphenyl-4-triphenylen-2-ylpyridine;4,6-diphenyl-2-triphenylen-2-ylpyrimidine;2,4-diphenyl-6-triphenylen-2-yl-1,3,5-triazine;2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine;2-phenyl-4-triphenylen-2-ylpyrimidine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine;2-pyridin-4-yl-4-triphenylen-2-ylpyrimidine
CID 158935180
5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 165106761
2-(7,10-diphenyltriphenylen-2-yl)-4-phenyl-6-pyridin-4-yl-1,3,5-triazine;2-[3-(10-methyltriphenylen-2-yl)-5-pyridin-3-ylphenyl]pyridine;4-[3-(10-phenyltriphenylen-2-yl)-5-pyridin-4-ylphenyl]pyridine;4-(7-phenyltriphenylen-2-yl)-2-pyridin-4-ylpyrimidine
CID 161441184

Frequently Asked Questions

What is the IUPAC name of 2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine?
The IUPAC name of 2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine (CID 118583016) is 2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine.
What is the SMILES notation for 2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine?
The canonical SMILES for 2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine is c1ccc(-c2cc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc(-c3cccnc3)c2)nc1.
What is the InChIKey of 2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine?
The InChIKey is GPUODAAMAPYDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2/c1-2-11-36-34(9-1)35-10-3-4-12-37(35)39-25-29(18-19-38(36)39)27-14-16-28(17-15-27)31-22-32(30-8-7-20-41-26-30)24-33(23-31)40-13-5-6-21-42-40/h1-26H.
What are the key properties of 2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine?
2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine has a molecular weight of 534.66 g/mol, XLogP of 10.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine is sourced from PubChem (CID 118583016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).