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

C53H36N2 — CID 118438417

IUPAC7-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]-1,8a-dihydroimidazo[1,2-a]pyridine
SMILESC1=CN2C=C(c3ccc(-c4c5ccccc5c(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c5ccccc45)cc3)NC2C=C1c1ccccc1
InChIInChI=1S/C53H36N2/c1-3-15-35(16-4-1)39-31-32-55-34-48(54-49(55)33-39)36-27-29-38(30-28-36)51-42-21-9-13-25-46(42)53(47-26-14-10-22-43(47)51)52-44-23-11-7-19-40(44)50(37-17-5-2-6-18-37)41-20-8-12-24-45(41)52/h1-34,49,54H
InChIKeyNBYMJNKVCMDOEL-UHFFFAOYSA-N
MW700.89 g/mol
LogP13.44
Rot. Bonds5

About 7-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]-1,8a-dihydroimidazo[1,2-a]pyridine

7-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]-1,8a-dihydroimidazo[1,2-a]pyridine (PubChem CID 118438417) has the molecular formula C53H36N2 and a molecular weight of 700.89 g/mol. Its IUPAC name is 7-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]-1,8a-dihydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]-1,8a-dihydroimidazo[1,2-a]pyridine
PubChem CID118438417
Molecular FormulaC53H36N2
Molecular Weight700.89 g/mol
Exact Mass700.29
IUPAC Name7-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]-1,8a-dihydroimidazo[1,2-a]pyridine
SMILESC1=CN2C=C(c3ccc(-c4c5ccccc5c(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c5ccccc45)cc3)NC2C=C1c1ccccc1
InChIInChI=1S/C53H36N2/c1-3-15-35(16-4-1)39-31-32-55-34-48(54-49(55)33-39)36-27-29-38(30-28-36)51-42-21-9-13-25-46(42)53(47-26-14-10-22-43(47)51)52-44-23-11-7-19-40(44)50(37-17-5-2-6-18-37)41-20-8-12-24-45(41)52/h1-34,49,54H
InChIKeyNBYMJNKVCMDOEL-UHFFFAOYSA-N
XLogP13.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.89
LogP ≤ 513.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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;2-[4-[10-[10-[4-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-7-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine;2-[4-[10-[4-[10-[4-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-1,8a-dihydroimidazo[1,2-a]pyridine;3-phenyl-2-[4-[10-[4-[10-[4-(3-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-1,8a-dihydroimidazo[1,2-a]pyridine
CID 159078779
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
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183593
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
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
5-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f]quinoxaline
CID 126706239
3-[9-(4,6-diphenyl-1,2-dihydropyridin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 146280207
9H-carbazole;9,10-diphenylanthracene
CID 159841164
CID 143321579
CID 143321579
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]-1,8a-dihydroimidazo[1,2-a]pyridine?
The IUPAC name of 7-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]-1,8a-dihydroimidazo[1,2-a]pyridine (CID 118438417) is 7-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]-1,8a-dihydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 7-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]-1,8a-dihydroimidazo[1,2-a]pyridine?
The canonical SMILES for 7-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]-1,8a-dihydroimidazo[1,2-a]pyridine is C1=CN2C=C(c3ccc(-c4c5ccccc5c(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c5ccccc45)cc3)NC2C=C1c1ccccc1.
What is the InChIKey of 7-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]-1,8a-dihydroimidazo[1,2-a]pyridine?
The InChIKey is NBYMJNKVCMDOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2/c1-3-15-35(16-4-1)39-31-32-55-34-48(54-49(55)33-39)36-27-29-38(30-28-36)51-42-21-9-13-25-46(42)53(47-26-14-10-22-43(47)51)52-44-23-11-7-19-40(44)50(37-17-5-2-6-18-37)41-20-8-12-24-45(41)52/h1-34,49,54H.
What are the key properties of 7-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]-1,8a-dihydroimidazo[1,2-a]pyridine?
7-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]-1,8a-dihydroimidazo[1,2-a]pyridine has a molecular weight of 700.89 g/mol, XLogP of 13.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]-1,8a-dihydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 118438417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).