3-(9,9-dimethylfluoren-4-yl)-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine

C49H35N5 — CID 168835892

IUPAC3-(9,9-dimethylfluoren-4-yl)-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine
SMILESCC1(C)c2ccccc2-c2c(-c3c(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)nc4ccccn34)cccc21
InChIInChI=1S/C49H35N5/c1-49(2)40-23-10-9-21-38(40)43-39(22-14-24-41(43)49)45-44(50-42-25-11-12-30-54(42)45)33-28-26-32(27-29-33)36-19-13-20-37(31-36)48-52-46(34-15-5-3-6-16-34)51-47(53-48)35-17-7-4-8-18-35/h3-31H,1-2H3
InChIKeyBXITVKWTQMNEDZ-UHFFFAOYSA-N
MW693.85 g/mol
LogP11.83
Rot. Bonds6

About 3-(9,9-dimethylfluoren-4-yl)-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine

3-(9,9-dimethylfluoren-4-yl)-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 168835892) has the molecular formula C49H35N5 and a molecular weight of 693.85 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-4-yl)-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-4-yl)-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine
PubChem CID168835892
Molecular FormulaC49H35N5
Molecular Weight693.85 g/mol
Exact Mass693.29
IUPAC Name3-(9,9-dimethylfluoren-4-yl)-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine
SMILESCC1(C)c2ccccc2-c2c(-c3c(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)nc4ccccn34)cccc21
InChIInChI=1S/C49H35N5/c1-49(2)40-23-10-9-21-38(40)43-39(22-14-24-41(43)49)45-44(50-42-25-11-12-30-54(42)45)33-28-26-32(27-29-33)36-19-13-20-37(31-36)48-52-46(34-15-5-3-6-16-34)51-47(53-48)35-17-7-4-8-18-35/h3-31H,1-2H3
InChIKeyBXITVKWTQMNEDZ-UHFFFAOYSA-N
XLogP11.83
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.85
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-2-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
CID 168835954
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 126543666
2-(9,9-dimethylfluoren-4-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146632838
3-phenyl-2-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
CID 168835790
3-phenyl-2-[3-[3-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
CID 164781284
2-[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150850
2-phenyl-3-[2-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine
CID 177297031
4-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 121450715
2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 175619642
2-naphthalen-1-yl-3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
CID 164781194
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 168835931
2-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146187818

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-4-yl)-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-(9,9-dimethylfluoren-4-yl)-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine (CID 168835892) is 3-(9,9-dimethylfluoren-4-yl)-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(9,9-dimethylfluoren-4-yl)-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(9,9-dimethylfluoren-4-yl)-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine is CC1(C)c2ccccc2-c2c(-c3c(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)nc4ccccn34)cccc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-4-yl)-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is BXITVKWTQMNEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N5/c1-49(2)40-23-10-9-21-38(40)43-39(22-14-24-41(43)49)45-44(50-42-25-11-12-30-54(42)45)33-28-26-32(27-29-33)36-19-13-20-37(31-36)48-52-46(34-15-5-3-6-16-34)51-47(53-48)35-17-7-4-8-18-35/h3-31H,1-2H3.
What are the key properties of 3-(9,9-dimethylfluoren-4-yl)-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine?
3-(9,9-dimethylfluoren-4-yl)-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 693.85 g/mol, XLogP of 11.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-4-yl)-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 168835892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).