2-(6-pyridin-2-yl-3-pyridinyl)-5-[3-[7-[6-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-6-yl]pyridine

C58H38N8 — CID 130312541

IUPAC2-(6-pyridin-2-yl-3-pyridinyl)-5-[3-[7-[6-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-6-yl]pyridine
SMILESC1=C(c2ccc3c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccccn8)nc7)nc6)nc5)cc4c4ccccc4c3c2)CNC(c2ccc(-c3ccc(-c4ccccn4)nc3)nc2)=C1
InChIInChI=1S/C58H38N8/c1-2-8-46-45(7-1)49-29-37(39-13-21-51(61-31-39)41-15-23-53(63-33-41)43-17-25-57(65-35-43)55-9-3-5-27-59-55)11-19-47(49)48-20-12-38(30-50(46)48)40-14-22-52(62-32-40)42-16-24-54(64-34-42)44-18-26-58(66-36-44)56-10-4-6-28-60-56/h1-31,33-36,62H,32H2
InChIKeyZHQDTRNXHNFFFV-UHFFFAOYSA-N
MW847.00 g/mol
LogP12.94
Rot. Bonds8

About 2-(6-pyridin-2-yl-3-pyridinyl)-5-[3-[7-[6-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-6-yl]pyridine

2-(6-pyridin-2-yl-3-pyridinyl)-5-[3-[7-[6-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-6-yl]pyridine (PubChem CID 130312541) has the molecular formula C58H38N8 and a molecular weight of 847.00 g/mol. Its IUPAC name is 2-(6-pyridin-2-yl-3-pyridinyl)-5-[3-[7-[6-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-6-yl]pyridine.

Molecular Properties

Compound Name2-(6-pyridin-2-yl-3-pyridinyl)-5-[3-[7-[6-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-6-yl]pyridine
PubChem CID130312541
Molecular FormulaC58H38N8
Molecular Weight847.00 g/mol
Exact Mass846.32
IUPAC Name2-(6-pyridin-2-yl-3-pyridinyl)-5-[3-[7-[6-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-6-yl]pyridine
SMILESC1=C(c2ccc3c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccccn8)nc7)nc6)nc5)cc4c4ccccc4c3c2)CNC(c2ccc(-c3ccc(-c4ccccn4)nc3)nc2)=C1
InChIInChI=1S/C58H38N8/c1-2-8-46-45(7-1)49-29-37(39-13-21-51(61-31-39)41-15-23-53(63-33-41)43-17-25-57(65-35-43)55-9-3-5-27-59-55)11-19-47(49)48-20-12-38(30-50(46)48)40-14-22-52(62-32-40)42-16-24-54(64-34-42)44-18-26-58(66-36-44)56-10-4-6-28-60-56/h1-31,33-36,62H,32H2
InChIKeyZHQDTRNXHNFFFV-UHFFFAOYSA-N
XLogP12.94
TPSA102.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.00
LogP ≤ 512.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(6-pyridin-2-yl-3-pyridinyl)-5-[3-[7-[6-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-6-yl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

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
5-[6,10-bis(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]-2-(1,2-dihydropyridin-6-yl)pyridine
CID 130312510
2-[3-(1,2-dihydropyridin-6-yl)-5-triphenylen-2-ylphenyl]pyridine
CID 146359971
2-[7-[5-(2,3-dihydropyridin-6-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine
CID 130312567
2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 153435461
2-[7-[5-(1,2-dihydropyridin-2-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine
CID 130312566
2-[6-(2,3-dihydropyridin-4-yl)-3-pyridinyl]-5-[5-[11-[6-[6-(6-pyridin-4-yl-3-pyridinyl)-3-pyridinyl]-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine
CID 160794473
2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine
CID 118583016
2-(1,2-dihydropyridin-6-yl)-5-[3-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]pyridine
CID 167110101
2-pyridin-2-yl-5-(5-pyridin-3-yl-2-pyridinyl)pyridine
CID 100956208
2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine
CID 118014153
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

Frequently Asked Questions

What is the IUPAC name of 2-(6-pyridin-2-yl-3-pyridinyl)-5-[3-[7-[6-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-6-yl]pyridine?
The IUPAC name of 2-(6-pyridin-2-yl-3-pyridinyl)-5-[3-[7-[6-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-6-yl]pyridine (CID 130312541) is 2-(6-pyridin-2-yl-3-pyridinyl)-5-[3-[7-[6-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-6-yl]pyridine.
What is the SMILES notation for 2-(6-pyridin-2-yl-3-pyridinyl)-5-[3-[7-[6-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-6-yl]pyridine?
The canonical SMILES for 2-(6-pyridin-2-yl-3-pyridinyl)-5-[3-[7-[6-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-6-yl]pyridine is C1=C(c2ccc3c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccccn8)nc7)nc6)nc5)cc4c4ccccc4c3c2)CNC(c2ccc(-c3ccc(-c4ccccn4)nc3)nc2)=C1.
What is the InChIKey of 2-(6-pyridin-2-yl-3-pyridinyl)-5-[3-[7-[6-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-6-yl]pyridine?
The InChIKey is ZHQDTRNXHNFFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N8/c1-2-8-46-45(7-1)49-29-37(39-13-21-51(61-31-39)41-15-23-53(63-33-41)43-17-25-57(65-35-43)55-9-3-5-27-59-55)11-19-47(49)48-20-12-38(30-50(46)48)40-14-22-52(62-32-40)42-16-24-54(64-34-42)44-18-26-58(66-36-44)56-10-4-6-28-60-56/h1-31,33-36,62H,32H2.
What are the key properties of 2-(6-pyridin-2-yl-3-pyridinyl)-5-[3-[7-[6-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-6-yl]pyridine?
2-(6-pyridin-2-yl-3-pyridinyl)-5-[3-[7-[6-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-6-yl]pyridine has a molecular weight of 847.00 g/mol, XLogP of 12.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-pyridin-2-yl-3-pyridinyl)-5-[3-[7-[6-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-6-yl]pyridine is sourced from PubChem (CID 130312541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).