8-phenyl-2-[4-[10-[4-(8-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine

C52H36N4 — CID 118438401

IUPAC8-phenyl-2-[4-[10-[4-(8-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine
SMILESC1=CN2C=C(c3ccc(-c4c5ccccc5c(-c5ccc(-c6cn7cccc(-c8ccccc8)c7n6)cc5)c5ccccc45)cc3)NC2C(c2ccccc2)=C1
InChIInChI=1S/C52H36N4/c1-3-13-35(14-4-1)41-21-11-31-55-33-47(53-51(41)55)37-23-27-39(28-24-37)49-43-17-7-9-19-45(43)50(46-20-10-8-18-44(46)49)40-29-25-38(26-30-40)48-34-56-32-12-22-42(52(56)54-48)36-15-5-2-6-16-36/h1-34,51,53H
InChIKeyWSQMDQZUXOYFPB-UHFFFAOYSA-N
MW716.89 g/mol
LogP12.45
Rot. Bonds6

About 8-phenyl-2-[4-[10-[4-(8-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine

8-phenyl-2-[4-[10-[4-(8-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 118438401) has the molecular formula C52H36N4 and a molecular weight of 716.89 g/mol. Its IUPAC name is 8-phenyl-2-[4-[10-[4-(8-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-phenyl-2-[4-[10-[4-(8-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine
PubChem CID118438401
Molecular FormulaC52H36N4
Molecular Weight716.89 g/mol
Exact Mass716.29
IUPAC Name8-phenyl-2-[4-[10-[4-(8-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine
SMILESC1=CN2C=C(c3ccc(-c4c5ccccc5c(-c5ccc(-c6cn7cccc(-c8ccccc8)c7n6)cc5)c5ccccc45)cc3)NC2C(c2ccccc2)=C1
InChIInChI=1S/C52H36N4/c1-3-13-35(14-4-1)41-21-11-31-55-33-47(53-51(41)55)37-23-27-39(28-24-37)49-43-17-7-9-19-45(43)50(46-20-10-8-18-44(46)49)40-29-25-38(26-30-40)48-34-56-32-12-22-42(52(56)54-48)36-15-5-2-6-16-36/h1-34,51,53H
InChIKeyWSQMDQZUXOYFPB-UHFFFAOYSA-N
XLogP12.45
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.89
LogP ≤ 512.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

8-phenyl-2-[4-[10-[4-(8-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine
CID 89089682
6-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine
CID 89089695
9,9-dimethyl-10-[4-(2-phenylimidazo[1,2-a]pyridin-8-yl)phenyl]acridine
CID 153406856
2-[4-[10-[10-[4-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-6-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine
CID 118438420
6,9,15-triphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1,3,5,7,9,11,14,16-octaene
CID 149023062
2-[4-[10-[4-[10-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-7-phenylimidazo[1,2-a]pyridine;6-phenyl-2-[4-[10-[4-[10-[4-(6-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine
CID 158282374
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine
CID 121338692
2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline
CID 134596708
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1,3,5,7,9,11,14,16-octaene
CID 154621778

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-2-[4-[10-[4-(8-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 8-phenyl-2-[4-[10-[4-(8-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine (CID 118438401) is 8-phenyl-2-[4-[10-[4-(8-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-phenyl-2-[4-[10-[4-(8-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 8-phenyl-2-[4-[10-[4-(8-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine is C1=CN2C=C(c3ccc(-c4c5ccccc5c(-c5ccc(-c6cn7cccc(-c8ccccc8)c7n6)cc5)c5ccccc45)cc3)NC2C(c2ccccc2)=C1.
What is the InChIKey of 8-phenyl-2-[4-[10-[4-(8-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is WSQMDQZUXOYFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4/c1-3-13-35(14-4-1)41-21-11-31-55-33-47(53-51(41)55)37-23-27-39(28-24-37)49-43-17-7-9-19-45(43)50(46-20-10-8-18-44(46)49)40-29-25-38(26-30-40)48-34-56-32-12-22-42(52(56)54-48)36-15-5-2-6-16-36/h1-34,51,53H.
What are the key properties of 8-phenyl-2-[4-[10-[4-(8-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine?
8-phenyl-2-[4-[10-[4-(8-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 716.89 g/mol, XLogP of 12.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-2-[4-[10-[4-(8-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 118438401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).