2-[4-(2,6-dimethylphenyl)-6-[3-[3-(9-phenylcarbazol-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-pyridinyl]phenol

C50H36N4O — CID 169318136

IUPAC2-[4-(2,6-dimethylphenyl)-6-[3-[3-(9-phenylcarbazol-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-pyridinyl]phenol
SMILESCc1cccc(C)c1-c1cc(-c2cccc(-c3nc4ccccn4c3-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)nc(-c2ccccc2O)c1
InChIInChI=1S/C50H36N4O/c1-32-14-12-15-33(2)48(32)37-29-42(51-43(30-37)41-21-7-9-23-46(41)55)34-16-13-17-35(28-34)49-50(53-27-11-10-24-47(53)52-49)36-25-26-40-39-20-6-8-22-44(39)54(45(40)31-36)38-18-4-3-5-19-38/h3-31,55H,1-2H3
InChIKeyXXHJFFCSFRGVLJ-UHFFFAOYSA-N
MW708.87 g/mol
LogP12.48
Rot. Bonds6

About 2-[4-(2,6-dimethylphenyl)-6-[3-[3-(9-phenylcarbazol-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-pyridinyl]phenol

2-[4-(2,6-dimethylphenyl)-6-[3-[3-(9-phenylcarbazol-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-pyridinyl]phenol (PubChem CID 169318136) has the molecular formula C50H36N4O and a molecular weight of 708.87 g/mol. Its IUPAC name is 2-[4-(2,6-dimethylphenyl)-6-[3-[3-(9-phenylcarbazol-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[4-(2,6-dimethylphenyl)-6-[3-[3-(9-phenylcarbazol-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-pyridinyl]phenol
PubChem CID169318136
Molecular FormulaC50H36N4O
Molecular Weight708.87 g/mol
Exact Mass708.29
IUPAC Name2-[4-(2,6-dimethylphenyl)-6-[3-[3-(9-phenylcarbazol-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-pyridinyl]phenol
SMILESCc1cccc(C)c1-c1cc(-c2cccc(-c3nc4ccccn4c3-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)nc(-c2ccccc2O)c1
InChIInChI=1S/C50H36N4O/c1-32-14-12-15-33(2)48(32)37-29-42(51-43(30-37)41-21-7-9-23-46(41)55)34-16-13-17-35(28-34)49-50(53-27-11-10-24-47(53)52-49)36-25-26-40-39-20-6-8-22-44(39)54(45(40)31-36)38-18-4-3-5-19-38/h3-31,55H,1-2H3
InChIKeyXXHJFFCSFRGVLJ-UHFFFAOYSA-N
XLogP12.48
TPSA55.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.87
LogP ≤ 512.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,6-dimethylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]-5-phenylphenol
CID 169318249
5-phenyl-2-[4-phenyl-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]phenol
CID 169318160
3,6-di(carbazol-9-yl)-9-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole
CID 121260661
2-[3-naphthalen-1-yl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 155306971
methane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole
CID 159626577
2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(3-phenylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol
CID 170542382
9,9-dimethyl-3-[4-(2-methylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]fluoren-4-ol
CID 169318085
9,9-dimethyl-2-[4-(2-methylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]fluoren-3-ol
CID 169318108
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
1-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-9-phenylcarbazole
CID 168835869
2-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-(4-methylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole
CID 159950438
2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511258

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethylphenyl)-6-[3-[3-(9-phenylcarbazol-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-pyridinyl]phenol?
The IUPAC name of 2-[4-(2,6-dimethylphenyl)-6-[3-[3-(9-phenylcarbazol-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-pyridinyl]phenol (CID 169318136) is 2-[4-(2,6-dimethylphenyl)-6-[3-[3-(9-phenylcarbazol-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-pyridinyl]phenol.
What is the SMILES notation for 2-[4-(2,6-dimethylphenyl)-6-[3-[3-(9-phenylcarbazol-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-pyridinyl]phenol?
The canonical SMILES for 2-[4-(2,6-dimethylphenyl)-6-[3-[3-(9-phenylcarbazol-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-pyridinyl]phenol is Cc1cccc(C)c1-c1cc(-c2cccc(-c3nc4ccccn4c3-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)nc(-c2ccccc2O)c1.
What is the InChIKey of 2-[4-(2,6-dimethylphenyl)-6-[3-[3-(9-phenylcarbazol-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-pyridinyl]phenol?
The InChIKey is XXHJFFCSFRGVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N4O/c1-32-14-12-15-33(2)48(32)37-29-42(51-43(30-37)41-21-7-9-23-46(41)55)34-16-13-17-35(28-34)49-50(53-27-11-10-24-47(53)52-49)36-25-26-40-39-20-6-8-22-44(39)54(45(40)31-36)38-18-4-3-5-19-38/h3-31,55H,1-2H3.
What are the key properties of 2-[4-(2,6-dimethylphenyl)-6-[3-[3-(9-phenylcarbazol-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-pyridinyl]phenol?
2-[4-(2,6-dimethylphenyl)-6-[3-[3-(9-phenylcarbazol-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-pyridinyl]phenol has a molecular weight of 708.87 g/mol, XLogP of 12.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethylphenyl)-6-[3-[3-(9-phenylcarbazol-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 169318136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).