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

C40H26N2 — CID 153435461

IUPAC2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc(-c3ccccn3)c2)nc1
InChIInChI=1S/C40H26N2/c1-2-14-35-33(12-1)34-13-3-4-15-36(34)38-26-29(18-19-37(35)38)27-10-9-11-28(22-27)30-23-31(39-16-5-7-20-41-39)25-32(24-30)40-17-6-8-21-42-40/h1-26H
InChIKeyNWLJSRHWEFMVQE-UHFFFAOYSA-N
MW534.66 g/mol
LogP10.60
Rot. Bonds4

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

2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine (PubChem CID 153435461) has the molecular formula C40H26N2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine
PubChem CID153435461
Molecular FormulaC40H26N2
Molecular Weight534.66 g/mol
Exact Mass534.21
IUPAC Name2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc(-c3ccccn3)c2)nc1
InChIInChI=1S/C40H26N2/c1-2-14-35-33(12-1)34-13-3-4-15-36(34)38-26-29(18-19-37(35)38)27-10-9-11-28(22-27)30-23-31(39-16-5-7-20-41-39)25-32(24-30)40-17-6-8-21-42-40/h1-26H
InChIKeyNWLJSRHWEFMVQE-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-(7-methyltriphenylen-2-yl)-5-pyridin-2-ylphenyl]pyridine
CID 145180167
2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine
CID 118583016
2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 171724335
2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167600
2-(21-pyridin-2-yl-7-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine
CID 59171873
2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine
CID 118014153
2-phenyl-4-(4-pyridin-2-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 130265192
2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 158485358
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167567
2-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-triphenylen-2-yl-1,10-phenanthroline
CID 134167397
2-[3-(1,2-dihydropyridin-6-yl)-5-triphenylen-2-ylphenyl]pyridine
CID 146359971

Frequently Asked Questions

What is the IUPAC name of 2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine?
The IUPAC name of 2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine (CID 153435461) is 2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine.
What is the SMILES notation for 2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine?
The canonical SMILES for 2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine is c1ccc(-c2cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc(-c3ccccn3)c2)nc1.
What is the InChIKey of 2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine?
The InChIKey is NWLJSRHWEFMVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2/c1-2-14-35-33(12-1)34-13-3-4-15-36(34)38-26-29(18-19-37(35)38)27-10-9-11-28(22-27)30-23-31(39-16-5-7-20-41-39)25-32(24-30)40-17-6-8-21-42-40/h1-26H.
What are the key properties of 2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine?
2-[3-pyridin-2-yl-5-(3-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-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine is sourced from PubChem (CID 153435461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).