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

C58H38N8 — CID 160794473

IUPAC2-[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
SMILESC1=NCCC(c2ccc(-c3ccc(-c4ccc(-c5ccc6c7ccccc7c7ccc(-c8ccc(-c9ccc(-c%10ccc(-c%11ccncc%11)nc%10)nc9)nc8)cc7c6c5)cn4)cn3)cn2)=C1
InChIInChI=1S/C58H38N8/c1-2-4-48-47(3-1)49-13-5-39(41-7-15-55(61-31-41)45-11-19-57(65-35-45)43-9-17-53(63-33-43)37-21-25-59-26-22-37)29-51(49)52-30-40(6-14-50(48)52)42-8-16-56(62-32-42)46-12-20-58(66-36-46)44-10-18-54(64-34-44)38-23-27-60-28-24-38/h1-23,25-27,29-36H,24,28H2
InChIKeySCGIDMRXTVOVER-UHFFFAOYSA-N
MW847.00 g/mol
LogP13.44
Rot. Bonds8

About 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

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 (PubChem CID 160794473) has the molecular formula C58H38N8 and a molecular weight of 847.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID160794473
Molecular FormulaC58H38N8
Molecular Weight847.00 g/mol
Exact Mass846.32
IUPAC Name2-[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
SMILESC1=NCCC(c2ccc(-c3ccc(-c4ccc(-c5ccc6c7ccccc7c7ccc(-c8ccc(-c9ccc(-c%10ccc(-c%11ccncc%11)nc%10)nc9)nc8)cc7c6c5)cn4)cn3)cn2)=C1
InChIInChI=1S/C58H38N8/c1-2-4-48-47(3-1)49-13-5-39(41-7-15-55(61-31-41)45-11-19-57(65-35-45)43-9-17-53(63-33-43)37-21-25-59-26-22-37)29-51(49)52-30-40(6-14-50(48)52)42-8-16-56(62-32-42)46-12-20-58(66-36-46)44-10-18-54(64-34-44)38-23-27-60-28-24-38/h1-23,25-27,29-36H,24,28H2
InChIKeySCGIDMRXTVOVER-UHFFFAOYSA-N
XLogP13.44
TPSA102.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.00
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nemertelline
CID 3042423
1-[5-[3,5-Bis[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]-3-phenylpyridin-1-ium tribromide
CID 23729443
3-Phenyl-1-[5-[2,4,5-tris[5-(3-phenylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]pyridin-1-ium tetrabromide
CID 44158944
3-Benzyl-1-[5-[2,4,5-tris[5-(3-benzylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44159304
2-[5-[2,4,5-Tris(5-isoquinolin-2-ium-2-ylpentyl)phenyl]pentyl]isoquinolin-2-ium tetrabromide
CID 44159419
3-Phenyl-1-[5-[2,4,5-tris[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44159538
4-((6-Phenylpyridin-3-yl)methyl)isoquinoline
CID 57330011
(anthracen-9-yl)-N,N-bis((pyridin-2-yl)methyl)methanamine
CID 10079224
Benzo(g)quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis-
CID 157284
Naphtho[2,1-b]quinolizin-12-ium
CID 3613582
Benzo(g)quinoline, 4,4'-(1,2-ethanediyldi-4,1-piperazinediyl)bis-
CID 3951536
1-[[6-[(4-Aminoquinolin-1-ium-1-yl)methyl]phenanthren-3-yl]methyl]quinolin-1-ium-4-amine
CID 10255017

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=NCCC(c2ccc(-c3ccc(-c4ccc(-c5ccc6c7ccccc7c7ccc(-c8ccc(-c9ccc(-c%10ccc(-c%11ccncc%11)nc%10)nc9)nc8)cc7c6c5)cn4)cn3)cn2)=C1.
What is the InChIKey of 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?
The InChIKey is SCGIDMRXTVOVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N8/c1-2-4-48-47(3-1)49-13-5-39(41-7-15-55(61-31-41)45-11-19-57(65-35-45)43-9-17-53(63-33-43)37-21-25-59-26-22-37)29-51(49)52-30-40(6-14-50(48)52)42-8-16-56(62-32-42)46-12-20-58(66-36-46)44-10-18-54(64-34-44)38-23-27-60-28-24-38/h1-23,25-27,29-36H,24,28H2.
What are the key properties of 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?
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 has a molecular weight of 847.00 g/mol, XLogP of 13.44, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160794473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).