4-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-bis[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]aniline

C57H39N7 — CID 148796411

IUPAC4-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-bis[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]aniline
SMILESc1ccc(-c2nc3ccccn3c2-c2ccc(N(c3ccc(-c4c(-c5ccccc5)nc5ccccn45)cc3)c3ccc(-c4c(-c5ccccc5)nc5ccccn45)cc3)cc2)cc1
InChIInChI=1S/C57H39N7/c1-4-16-40(17-5-1)52-55(61-37-13-10-22-49(61)58-52)43-25-31-46(32-26-43)64(47-33-27-44(28-34-47)56-53(41-18-6-2-7-19-41)59-50-23-11-14-38-62(50)56)48-35-29-45(30-36-48)57-54(42-20-8-3-9-21-42)60-51-24-12-15-39-63(51)57/h1-39H
InChIKeyONEGCUHABIEGCA-UHFFFAOYSA-N
MW821.99 g/mol
LogP14.10
Rot. Bonds9

About 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-bis[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]aniline

4-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-bis[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]aniline (PubChem CID 148796411) has the molecular formula C57H39N7 and a molecular weight of 821.99 g/mol. Its IUPAC name is 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-bis[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-bis[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]aniline
PubChem CID148796411
Molecular FormulaC57H39N7
Molecular Weight821.99 g/mol
Exact Mass821.33
IUPAC Name4-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-bis[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]aniline
SMILESc1ccc(-c2nc3ccccn3c2-c2ccc(N(c3ccc(-c4c(-c5ccccc5)nc5ccccn45)cc3)c3ccc(-c4c(-c5ccccc5)nc5ccccn45)cc3)cc2)cc1
InChIInChI=1S/C57H39N7/c1-4-16-40(17-5-1)52-55(61-37-13-10-22-49(61)58-52)43-25-31-46(32-26-43)64(47-33-27-44(28-34-47)56-53(41-18-6-2-7-19-41)59-50-23-11-14-38-62(50)56)48-35-29-45(30-36-48)57-54(42-20-8-3-9-21-42)60-51-24-12-15-39-63(51)57/h1-39H
InChIKeyONEGCUHABIEGCA-UHFFFAOYSA-N
XLogP14.10
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.99
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline
CID 167376610
2,3,4,5,6-pentadeuterio-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 167376681
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 168835931
9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]fluorene-2,7-diamine
CID 167376601
4-(2-phenylimidazo[1,2-a]pyridin-3-yl)aniline
CID 71460237
2-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridine
CID 10779709
2-(4-iodophenyl)-3-phenylimidazo[1,2-a]pyridine
CID 133055125
6-methyl-N-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]pyridin-2-amine
CID 167376713
2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline
CID 164781299
9-phenyl-N-[4-[4-[N-(9-phenylcarbazol-3-yl)-3-(3-phenylimidazo[1,2-a]pyridin-2-yl)anilino]phenyl]phenyl]-N-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazol-3-amine
CID 167376746
2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine
CID 59999905
2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline;2-phenyl-3-[4-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline;2-phenyl-3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]quinoxaline
CID 164994147

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-bis[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]aniline?
The IUPAC name of 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-bis[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]aniline (CID 148796411) is 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-bis[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]aniline.
What is the SMILES notation for 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-bis[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]aniline?
The canonical SMILES for 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-bis[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]aniline is c1ccc(-c2nc3ccccn3c2-c2ccc(N(c3ccc(-c4c(-c5ccccc5)nc5ccccn45)cc3)c3ccc(-c4c(-c5ccccc5)nc5ccccn45)cc3)cc2)cc1.
What is the InChIKey of 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-bis[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]aniline?
The InChIKey is ONEGCUHABIEGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N7/c1-4-16-40(17-5-1)52-55(61-37-13-10-22-49(61)58-52)43-25-31-46(32-26-43)64(47-33-27-44(28-34-47)56-53(41-18-6-2-7-19-41)59-50-23-11-14-38-62(50)56)48-35-29-45(30-36-48)57-54(42-20-8-3-9-21-42)60-51-24-12-15-39-63(51)57/h1-39H.
What are the key properties of 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-bis[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]aniline?
4-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-bis[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]aniline has a molecular weight of 821.99 g/mol, XLogP of 14.10, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-bis[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]aniline is sourced from PubChem (CID 148796411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).