1-(9H-fluoren-9-yl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine

C32H23N3O — CID 23025991

IUPAC1-(9H-fluoren-9-yl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine
SMILESCOc1cccc(-c2nc3ncc(-c4ccccc4)cc3n2C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C32H23N3O/c1-36-24-13-9-12-22(18-24)32-34-31-29(19-23(20-33-31)21-10-3-2-4-11-21)35(32)30-27-16-7-5-14-25(27)26-15-6-8-17-28(26)30/h2-20,30H,1H3
InChIKeyGJHMHBSURWQIRX-UHFFFAOYSA-N
MW465.56 g/mol
LogP7.39
Rot. Bonds4

About 1-(9H-fluoren-9-yl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine

1-(9H-fluoren-9-yl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine (PubChem CID 23025991) has the molecular formula C32H23N3O and a molecular weight of 465.56 g/mol. Its IUPAC name is 1-(9H-fluoren-9-yl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-(9H-fluoren-9-yl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine
PubChem CID23025991
Molecular FormulaC32H23N3O
Molecular Weight465.56 g/mol
Exact Mass465.18
IUPAC Name1-(9H-fluoren-9-yl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine
SMILESCOc1cccc(-c2nc3ncc(-c4ccccc4)cc3n2C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C32H23N3O/c1-36-24-13-9-12-22(18-24)32-34-31-29(19-23(20-33-31)21-10-3-2-4-11-21)35(32)30-27-16-7-5-14-25(27)26-15-6-8-17-28(26)30/h2-20,30H,1H3
InChIKeyGJHMHBSURWQIRX-UHFFFAOYSA-N
XLogP7.39
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-yl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine?
The IUPAC name of 1-(9H-fluoren-9-yl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine (CID 23025991) is 1-(9H-fluoren-9-yl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 1-(9H-fluoren-9-yl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine?
The canonical SMILES for 1-(9H-fluoren-9-yl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine is COc1cccc(-c2nc3ncc(-c4ccccc4)cc3n2C2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 1-(9H-fluoren-9-yl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine?
The InChIKey is GJHMHBSURWQIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N3O/c1-36-24-13-9-12-22(18-24)32-34-31-29(19-23(20-33-31)21-10-3-2-4-11-21)35(32)30-27-16-7-5-14-25(27)26-15-6-8-17-28(26)30/h2-20,30H,1H3.
What are the key properties of 1-(9H-fluoren-9-yl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine?
1-(9H-fluoren-9-yl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine has a molecular weight of 465.56 g/mol, XLogP of 7.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-yl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 23025991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).