2-[7-[5-(1,2-dihydropyridin-2-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine

C38H26N4 — CID 130312566

IUPAC2-[7-[5-(1,2-dihydropyridin-2-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine
SMILESC1=CNC(c2ccc(-c3ccc4c5ccc(-c6ccc(-c7ccccn7)cn6)cc5c5ccccc5c4c3)nc2)C=C1
InChIInChI=1S/C38H26N4/c1-2-8-30-29(7-1)33-21-25(37-17-13-27(23-41-37)35-9-3-5-19-39-35)11-15-31(33)32-16-12-26(22-34(30)32)38-18-14-28(24-42-38)36-10-4-6-20-40-36/h1-24,35,39H
InChIKeyQZXDUWJXGSSMAX-UHFFFAOYSA-N
MW538.65 g/mol
LogP9.05
Rot. Bonds4

About 2-[7-[5-(1,2-dihydropyridin-2-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine

2-[7-[5-(1,2-dihydropyridin-2-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine (PubChem CID 130312566) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 2-[7-[5-(1,2-dihydropyridin-2-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-[7-[5-(1,2-dihydropyridin-2-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine
PubChem CID130312566
Molecular FormulaC38H26N4
Molecular Weight538.65 g/mol
Exact Mass538.22
IUPAC Name2-[7-[5-(1,2-dihydropyridin-2-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine
SMILESC1=CNC(c2ccc(-c3ccc4c5ccc(-c6ccc(-c7ccccn7)cn6)cc5c5ccccc5c4c3)nc2)C=C1
InChIInChI=1S/C38H26N4/c1-2-8-30-29(7-1)33-21-25(37-17-13-27(23-41-37)35-9-3-5-19-39-35)11-15-31(33)32-16-12-26(22-34(30)32)38-18-14-28(24-42-38)36-10-4-6-20-40-36/h1-24,35,39H
InChIKeyQZXDUWJXGSSMAX-UHFFFAOYSA-N
XLogP9.05
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 59.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[5-(1,2-dihydropyridin-2-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine?
The IUPAC name of 2-[7-[5-(1,2-dihydropyridin-2-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine (CID 130312566) is 2-[7-[5-(1,2-dihydropyridin-2-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine.
What is the SMILES notation for 2-[7-[5-(1,2-dihydropyridin-2-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine?
The canonical SMILES for 2-[7-[5-(1,2-dihydropyridin-2-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine is C1=CNC(c2ccc(-c3ccc4c5ccc(-c6ccc(-c7ccccn7)cn6)cc5c5ccccc5c4c3)nc2)C=C1.
What is the InChIKey of 2-[7-[5-(1,2-dihydropyridin-2-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine?
The InChIKey is QZXDUWJXGSSMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c1-2-8-30-29(7-1)33-21-25(37-17-13-27(23-41-37)35-9-3-5-19-39-35)11-15-31(33)32-16-12-26(22-34(30)32)38-18-14-28(24-42-38)36-10-4-6-20-40-36/h1-24,35,39H.
What are the key properties of 2-[7-[5-(1,2-dihydropyridin-2-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine?
2-[7-[5-(1,2-dihydropyridin-2-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine has a molecular weight of 538.65 g/mol, XLogP of 9.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[5-(1,2-dihydropyridin-2-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine is sourced from PubChem (CID 130312566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).