2-pyridin-2-yl-5-[7-(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]pyridine

C38H24N4 — CID 86709927

IUPAC2-pyridin-2-yl-5-[7-(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]pyridine
SMILESc1ccc(-c2ccc(-c3ccc4c5ccc(-c6ccc(-c7ccccn7)nc6)cc5c5ccccc5c4c3)cn2)nc1
InChIInChI=1S/C38H24N4/c1-2-8-30-29(7-1)33-21-25(27-13-17-37(41-23-27)35-9-3-5-19-39-35)11-15-31(33)32-16-12-26(22-34(30)32)28-14-18-38(42-24-28)36-10-4-6-20-40-36/h1-24H
InChIKeyYAELXYZSNJSOCR-UHFFFAOYSA-N
MW536.64 g/mol
LogP9.39
Rot. Bonds4

About 2-pyridin-2-yl-5-[7-(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]pyridine

2-pyridin-2-yl-5-[7-(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]pyridine (PubChem CID 86709927) has the molecular formula C38H24N4 and a molecular weight of 536.64 g/mol. Its IUPAC name is 2-pyridin-2-yl-5-[7-(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-5-[7-(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]pyridine
PubChem CID86709927
Molecular FormulaC38H24N4
Molecular Weight536.64 g/mol
Exact Mass536.20
IUPAC Name2-pyridin-2-yl-5-[7-(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]pyridine
SMILESc1ccc(-c2ccc(-c3ccc4c5ccc(-c6ccc(-c7ccccn7)nc6)cc5c5ccccc5c4c3)cn2)nc1
InChIInChI=1S/C38H24N4/c1-2-8-30-29(7-1)33-21-25(27-13-17-37(41-23-27)35-9-3-5-19-39-35)11-15-31(33)32-16-12-26(22-34(30)32)28-14-18-38(42-24-28)36-10-4-6-20-40-36/h1-24H
InChIKeyYAELXYZSNJSOCR-UHFFFAOYSA-N
XLogP9.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 80259
CID 80259
CID 25130517
CID 25130517
CID 620696
CID 620696
CID 9996767
CID 9996767
CID 3042423
CID 3042423
CID 11438308
CID 11438308
CID 4407216
CID 4407216
CID 84602
CID 84602
CID 11687499
CID 11687499
CID 23729443
CID 23729443
CID 73356736
CID 73356736
CID 5343498
CID 5343498

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-5-[7-(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]pyridine?
The IUPAC name of 2-pyridin-2-yl-5-[7-(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]pyridine (CID 86709927) is 2-pyridin-2-yl-5-[7-(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]pyridine.
What is the SMILES notation for 2-pyridin-2-yl-5-[7-(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]pyridine?
The canonical SMILES for 2-pyridin-2-yl-5-[7-(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]pyridine is c1ccc(-c2ccc(-c3ccc4c5ccc(-c6ccc(-c7ccccn7)nc6)cc5c5ccccc5c4c3)cn2)nc1.
What is the InChIKey of 2-pyridin-2-yl-5-[7-(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]pyridine?
The InChIKey is YAELXYZSNJSOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4/c1-2-8-30-29(7-1)33-21-25(27-13-17-37(41-23-27)35-9-3-5-19-39-35)11-15-31(33)32-16-12-26(22-34(30)32)28-14-18-38(42-24-28)36-10-4-6-20-40-36/h1-24H.
What are the key properties of 2-pyridin-2-yl-5-[7-(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]pyridine?
2-pyridin-2-yl-5-[7-(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]pyridine has a molecular weight of 536.64 g/mol, XLogP of 9.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-5-[7-(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]pyridine is sourced from PubChem (CID 86709927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).