6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-2-[5-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-4-(6-triethylphosphaniumylhexyl)thiophen-2-yl]thiophen-3-yl]hexyl-triethylphosphanium

C94H132N6P4S4+4 — CID 132562013

IUPAC6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-2-[5-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-4-(6-triethylphosphaniumylhexyl)thiophen-2-yl]thiophen-3-yl]hexyl-triethylphosphanium
SMILESCC[P+](CC)(CC)CCCCCCc1cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)sc1-c1cc(CCCCCC[P+](CC)(CC)CC)c(-c2sc(-c3sc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3CCCCCC[P+](CC)(CC)CC)cc2CCCCCC[P+](CC)(CC)CC)s1
InChIInChI=1S/C94H132N6P4S4/c1-13-101(14-2,15-3)61-45-29-25-33-49-73-69-87(77-65-83(79-53-37-41-57-95-79)99-84(66-77)80-54-38-42-58-96-80)105-91(73)89-71-75(51-35-27-31-47-63-103(19-7,20-8)21-9)93(107-89)94-76(52-36-28-32-48-64-104(22-10,23-11)24-12)72-90(108-94)92-74(50-34-26-30-46-62-102(16-4,17-5)18-6)70-88(106-92)78-67-85(81-55-39-43-59-97-81)100-86(68-78)82-56-40-44-60-98-82/h37-44,53-60,65-72H,13-36,45-52,61-64H2,1-12H3/q+4
InChIKeyBXDFWBUEKACRBA-UHFFFAOYSA-N
MW1598.30 g/mol
LogP30.03
Rot. Bonds49

About 6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-2-[5-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-4-(6-triethylphosphaniumylhexyl)thiophen-2-yl]thiophen-3-yl]hexyl-triethylphosphanium

6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-2-[5-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-4-(6-triethylphosphaniumylhexyl)thiophen-2-yl]thiophen-3-yl]hexyl-triethylphosphanium (PubChem CID 132562013) has the molecular formula C94H132N6P4S4+4 and a molecular weight of 1598.30 g/mol. Its IUPAC name is 6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-2-[5-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-4-(6-triethylphosphaniumylhexyl)thiophen-2-yl]thiophen-3-yl]hexyl-triethylphosphanium.

Molecular Properties

Compound Name6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-2-[5-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-4-(6-triethylphosphaniumylhexyl)thiophen-2-yl]thiophen-3-yl]hexyl-triethylphosphanium
PubChem CID132562013
Molecular FormulaC94H132N6P4S4+4
Molecular Weight1598.30 g/mol
Exact Mass1596.83
IUPAC Name6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-2-[5-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-4-(6-triethylphosphaniumylhexyl)thiophen-2-yl]thiophen-3-yl]hexyl-triethylphosphanium
SMILESCC[P+](CC)(CC)CCCCCCc1cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)sc1-c1cc(CCCCCC[P+](CC)(CC)CC)c(-c2sc(-c3sc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3CCCCCC[P+](CC)(CC)CC)cc2CCCCCC[P+](CC)(CC)CC)s1
InChIInChI=1S/C94H132N6P4S4/c1-13-101(14-2,15-3)61-45-29-25-33-49-73-69-87(77-65-83(79-53-37-41-57-95-79)99-84(66-77)80-54-38-42-58-96-80)105-91(73)89-71-75(51-35-27-31-47-63-103(19-7,20-8)21-9)93(107-89)94-76(52-36-28-32-48-64-104(22-10,23-11)24-12)72-90(108-94)92-74(50-34-26-30-46-62-102(16-4,17-5)18-6)70-88(106-92)78-67-85(81-55-39-43-59-97-81)100-86(68-78)82-56-40-44-60-98-82/h37-44,53-60,65-72H,13-36,45-52,61-64H2,1-12H3/q+4
InChIKeyBXDFWBUEKACRBA-UHFFFAOYSA-N
XLogP30.03
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds49
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001598.30
LogP ≤ 530.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-2-[5-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-4-(6-triethylphosphaniumylhexyl)thiophen-2-yl]thiophen-3-yl]hexyl-triethylphosphanium with MolForge

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Related Compounds

4-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-4-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2,6-dipyridin-2-ylpyridine
CID 102264040
4-[5-(2,6-dipyridin-2-yl-4-pyridinyl)thiophen-2-yl]-N,N-dihexylaniline
CID 132522913
4-[2-[5-[2-(2,6-dipyridin-2-yl-4-pyridinyl)ethynyl]-3-dodecylthiophen-2-yl]ethynyl]-2,6-dipyridin-2-ylpyridine
CID 102373835
4-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2,6-dipyridin-2-ylpyridine;(2,6-dipyridin-2-yl-4-pyridinyl)phosphonic acid;ruthenium
CID 59841640
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
3-hexyl-2-[5-[5-[4-hexyl-5-[4-hexyl-5-[5-[5-(4-hexyl-5-phenylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-phenylthiophene
CID 59515125
bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium
CID 157164655
4-[4-decyl-5-[2-[5-[3-decyl-5-[4-decyl-5-[2-[3-decyl-5-[4-decyl-5-[2-[5-[3-decyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]-N,N-diphenylaniline
CID 102487749
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
2-pyridin-2-yl-4,6-dithiophen-2-ylpyridine
CID 10734487
tetrakis(carbon dioxide);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine
CID 158619139
4-[4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dihexadecoxyphenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 177491486

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-2-[5-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-4-(6-triethylphosphaniumylhexyl)thiophen-2-yl]thiophen-3-yl]hexyl-triethylphosphanium?
The IUPAC name of 6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-2-[5-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-4-(6-triethylphosphaniumylhexyl)thiophen-2-yl]thiophen-3-yl]hexyl-triethylphosphanium (CID 132562013) is 6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-2-[5-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-4-(6-triethylphosphaniumylhexyl)thiophen-2-yl]thiophen-3-yl]hexyl-triethylphosphanium.
What is the SMILES notation for 6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-2-[5-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-4-(6-triethylphosphaniumylhexyl)thiophen-2-yl]thiophen-3-yl]hexyl-triethylphosphanium?
The canonical SMILES for 6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-2-[5-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-4-(6-triethylphosphaniumylhexyl)thiophen-2-yl]thiophen-3-yl]hexyl-triethylphosphanium is CC[P+](CC)(CC)CCCCCCc1cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)sc1-c1cc(CCCCCC[P+](CC)(CC)CC)c(-c2sc(-c3sc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3CCCCCC[P+](CC)(CC)CC)cc2CCCCCC[P+](CC)(CC)CC)s1.
What is the InChIKey of 6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-2-[5-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-4-(6-triethylphosphaniumylhexyl)thiophen-2-yl]thiophen-3-yl]hexyl-triethylphosphanium?
The InChIKey is BXDFWBUEKACRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H132N6P4S4/c1-13-101(14-2,15-3)61-45-29-25-33-49-73-69-87(77-65-83(79-53-37-41-57-95-79)99-84(66-77)80-54-38-42-58-96-80)105-91(73)89-71-75(51-35-27-31-47-63-103(19-7,20-8)21-9)93(107-89)94-76(52-36-28-32-48-64-104(22-10,23-11)24-12)72-90(108-94)92-74(50-34-26-30-46-62-102(16-4,17-5)18-6)70-88(106-92)78-67-85(81-55-39-43-59-97-81)100-86(68-78)82-56-40-44-60-98-82/h37-44,53-60,65-72H,13-36,45-52,61-64H2,1-12H3/q+4.
What are the key properties of 6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-2-[5-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-4-(6-triethylphosphaniumylhexyl)thiophen-2-yl]thiophen-3-yl]hexyl-triethylphosphanium?
6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-2-[5-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-4-(6-triethylphosphaniumylhexyl)thiophen-2-yl]thiophen-3-yl]hexyl-triethylphosphanium has a molecular weight of 1598.30 g/mol, XLogP of 30.03, 49 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-2-[5-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-3-(6-triethylphosphaniumylhexyl)thiophen-2-yl]-4-(6-triethylphosphaniumylhexyl)thiophen-2-yl]thiophen-3-yl]hexyl-triethylphosphanium is sourced from PubChem (CID 132562013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).