3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine

C45H30N6 — CID 132506865

IUPAC3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine
SMILESc1ccc(-c2nc(-c3cc(-c4nc(-c5ccccc5)c5ccccn45)cc(-c4nc(-c5ccccc5)c5ccccn45)c3)n3ccccc23)cc1
InChIInChI=1S/C45H30N6/c1-4-16-31(17-5-1)40-37-22-10-13-25-49(37)43(46-40)34-28-35(44-47-41(32-18-6-2-7-19-32)38-23-11-14-26-50(38)44)30-36(29-34)45-48-42(33-20-8-3-9-21-33)39-24-12-15-27-51(39)45/h1-30H
InChIKeyWKQKIQSDXCXCHO-UHFFFAOYSA-N
MW654.78 g/mol
LogP10.63
Rot. Bonds6

About 3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine

3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine (PubChem CID 132506865) has the molecular formula C45H30N6 and a molecular weight of 654.78 g/mol. Its IUPAC name is 3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine
PubChem CID132506865
Molecular FormulaC45H30N6
Molecular Weight654.78 g/mol
Exact Mass654.25
IUPAC Name3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine
SMILESc1ccc(-c2nc(-c3cc(-c4nc(-c5ccccc5)c5ccccn45)cc(-c4nc(-c5ccccc5)c5ccccn45)c3)n3ccccc23)cc1
InChIInChI=1S/C45H30N6/c1-4-16-31(17-5-1)40-37-22-10-13-25-49(37)43(46-40)34-28-35(44-47-41(32-18-6-2-7-19-32)38-23-11-14-26-50(38)44)30-36(29-34)45-48-42(33-20-8-3-9-21-33)39-24-12-15-27-51(39)45/h1-30H
InChIKeyWKQKIQSDXCXCHO-UHFFFAOYSA-N
XLogP10.63
TPSA51.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.78
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dinaphthalen-2-ylphenyl)-1-phenylimidazo[1,5-a]pyridine
CID 129257002
1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine
CID 132965985
3-(2-fluorophenyl)-1-phenylimidazo[1,5-a]pyridine
CID 132581650
3-(furan-2-yl)-1-phenylimidazo[1,5-a]pyridine
CID 728608
1-[3,5-bis(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)phenyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine
CID 118322669
1-phenyl-3-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)ethyl]imidazo[1,5-a]pyridine
CID 132506858
3-(2-nitrophenyl)-1-phenylimidazo[1,5-a]pyridine
CID 154641480
4-bromo-2-(3-phenylimidazo[1,5-a]pyridin-1-yl)phenol
CID 155115095
1-phenylimidazo[1,5-a]pyridine-3-carbaldehyde
CID 112757352
[3-(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl] 4-methylbenzoate
CID 21178049
3-phenyl-1-[(3-phenylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine
CID 102267342
7-methyl-4-phenylpyrrolo[1,2-a]quinoxaline
CID 132523762

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine?
The IUPAC name of 3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine (CID 132506865) is 3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine?
The canonical SMILES for 3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine is c1ccc(-c2nc(-c3cc(-c4nc(-c5ccccc5)c5ccccn45)cc(-c4nc(-c5ccccc5)c5ccccn45)c3)n3ccccc23)cc1.
What is the InChIKey of 3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine?
The InChIKey is WKQKIQSDXCXCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N6/c1-4-16-31(17-5-1)40-37-22-10-13-25-49(37)43(46-40)34-28-35(44-47-41(32-18-6-2-7-19-32)38-23-11-14-26-50(38)44)30-36(29-34)45-48-42(33-20-8-3-9-21-33)39-24-12-15-27-51(39)45/h1-30H.
What are the key properties of 3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine?
3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine has a molecular weight of 654.78 g/mol, XLogP of 10.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine is sourced from PubChem (CID 132506865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).