4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine

C74H82N4 — CID 89402899

IUPAC4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
SMILESCCCCCCc1cc(-c2cc(-c3ccc(-c4ccncc4)c(CCCCCC)c3)c(-c3ccc(-c4ccncc4)c(CCCCCC)c3)cc2-c2ccc(-c3ccncc3)c(CCCCCC)c2)ccc1-c1ccncc1
InChIInChI=1S/C74H82N4/c1-5-9-13-17-21-59-49-63(25-29-67(59)55-33-41-75-42-34-55)71-53-73(65-27-31-69(57-37-45-77-46-38-57)61(51-65)23-19-15-11-7-3)74(66-28-32-70(58-39-47-78-48-40-58)62(52-66)24-20-16-12-8-4)54-72(71)64-26-30-68(56-35-43-76-44-36-56)60(50-64)22-18-14-10-6-2/h25-54H,5-24H2,1-4H3
InChIKeyODVRFXGJVZFBHP-UHFFFAOYSA-N
MW1027.50 g/mol
LogP21.09
Rot. Bonds28

About 4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine

4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 89402899) has the molecular formula C74H82N4 and a molecular weight of 1027.50 g/mol. Its IUPAC name is 4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
PubChem CID89402899
Molecular FormulaC74H82N4
Molecular Weight1027.50 g/mol
Exact Mass1026.65
IUPAC Name4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
SMILESCCCCCCc1cc(-c2cc(-c3ccc(-c4ccncc4)c(CCCCCC)c3)c(-c3ccc(-c4ccncc4)c(CCCCCC)c3)cc2-c2ccc(-c3ccncc3)c(CCCCCC)c2)ccc1-c1ccncc1
InChIInChI=1S/C74H82N4/c1-5-9-13-17-21-59-49-63(25-29-67(59)55-33-41-75-42-34-55)71-53-73(65-27-31-69(57-37-45-77-46-38-57)61(51-65)23-19-15-11-7-3)74(66-28-32-70(58-39-47-78-48-40-58)62(52-66)24-20-16-12-8-4)54-72(71)64-26-30-68(56-35-43-76-44-36-56)60(50-64)22-18-14-10-6-2/h25-54H,5-24H2,1-4H3
InChIKeyODVRFXGJVZFBHP-UHFFFAOYSA-N
XLogP21.09
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001027.50
LogP ≤ 521.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]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

ethanol;4-(2,4,5-tripyridin-4-ylphenyl)pyridine
CID 139144971
1-[3-[4-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]-3-heptylphenyl]phenyl]-3,5-dimethylbenzene
CID 59546699
2-(3-butyl-4-phenylphenyl)phenol
CID 174552804
2-[3-heptyl-4-(4-methylphenyl)phenyl]-7-methyl-9,9-dioctylfluorene
CID 58720499
4-(2-decyl-4-hydroxyphenyl)benzoic acid
CID 70357774
1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene
CID 159383327
6-hexyl-4-pyridin-4-ylquinoline
CID 175901986
4-[3-fluoro-4-(3-heptyl-4-hydroxyphenyl)phenyl]-2-heptylphenol
CID 135247842
3-dodecyl-4-phenylbenzoic acid
CID 19933758
1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene
CID 158517315
2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 142281639
4-heptyl-3-methylpyridine
CID 143666243

Frequently Asked Questions

What is the IUPAC name of 4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine?
The IUPAC name of 4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine (CID 89402899) is 4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine?
The canonical SMILES for 4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine is CCCCCCc1cc(-c2cc(-c3ccc(-c4ccncc4)c(CCCCCC)c3)c(-c3ccc(-c4ccncc4)c(CCCCCC)c3)cc2-c2ccc(-c3ccncc3)c(CCCCCC)c2)ccc1-c1ccncc1.
What is the InChIKey of 4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine?
The InChIKey is ODVRFXGJVZFBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H82N4/c1-5-9-13-17-21-59-49-63(25-29-67(59)55-33-41-75-42-34-55)71-53-73(65-27-31-69(57-37-45-77-46-38-57)61(51-65)23-19-15-11-7-3)74(66-28-32-70(58-39-47-78-48-40-58)62(52-66)24-20-16-12-8-4)54-72(71)64-26-30-68(56-35-43-76-44-36-56)60(50-64)22-18-14-10-6-2/h25-54H,5-24H2,1-4H3.
What are the key properties of 4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine?
4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine has a molecular weight of 1027.50 g/mol, XLogP of 21.09, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 89402899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).