2-[4-(2,6-dimethylphenyl)phenyl]-5-(3-phenylphenyl)furo[3,2-b]pyridine

C33H25NO — CID 155629004

IUPAC2-[4-(2,6-dimethylphenyl)phenyl]-5-(3-phenylphenyl)furo[3,2-b]pyridine
SMILESCc1cccc(C)c1-c1ccc(-c2cc3nc(-c4cccc(-c5ccccc5)c4)ccc3o2)cc1
InChIInChI=1S/C33H25NO/c1-22-8-6-9-23(2)33(22)26-16-14-25(15-17-26)32-21-30-31(35-32)19-18-29(34-30)28-13-7-12-27(20-28)24-10-4-3-5-11-24/h3-21H,1-2H3
InChIKeyFZYUQPADXMGOOU-UHFFFAOYSA-N
MW451.57 g/mol
LogP9.11
Rot. Bonds4

About 2-[4-(2,6-dimethylphenyl)phenyl]-5-(3-phenylphenyl)furo[3,2-b]pyridine

2-[4-(2,6-dimethylphenyl)phenyl]-5-(3-phenylphenyl)furo[3,2-b]pyridine (PubChem CID 155629004) has the molecular formula C33H25NO and a molecular weight of 451.57 g/mol. Its IUPAC name is 2-[4-(2,6-dimethylphenyl)phenyl]-5-(3-phenylphenyl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name2-[4-(2,6-dimethylphenyl)phenyl]-5-(3-phenylphenyl)furo[3,2-b]pyridine
PubChem CID155629004
Molecular FormulaC33H25NO
Molecular Weight451.57 g/mol
Exact Mass451.19
IUPAC Name2-[4-(2,6-dimethylphenyl)phenyl]-5-(3-phenylphenyl)furo[3,2-b]pyridine
SMILESCc1cccc(C)c1-c1ccc(-c2cc3nc(-c4cccc(-c5ccccc5)c4)ccc3o2)cc1
InChIInChI=1S/C33H25NO/c1-22-8-6-9-23(2)33(22)26-16-14-25(15-17-26)32-21-30-31(35-32)19-18-29(34-30)28-13-7-12-27(20-28)24-10-4-3-5-11-24/h3-21H,1-2H3
InChIKeyFZYUQPADXMGOOU-UHFFFAOYSA-N
XLogP9.11
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethylphenyl)phenyl]-5-(3-phenylphenyl)furo[3,2-b]pyridine?
The IUPAC name of 2-[4-(2,6-dimethylphenyl)phenyl]-5-(3-phenylphenyl)furo[3,2-b]pyridine (CID 155629004) is 2-[4-(2,6-dimethylphenyl)phenyl]-5-(3-phenylphenyl)furo[3,2-b]pyridine.
What is the SMILES notation for 2-[4-(2,6-dimethylphenyl)phenyl]-5-(3-phenylphenyl)furo[3,2-b]pyridine?
The canonical SMILES for 2-[4-(2,6-dimethylphenyl)phenyl]-5-(3-phenylphenyl)furo[3,2-b]pyridine is Cc1cccc(C)c1-c1ccc(-c2cc3nc(-c4cccc(-c5ccccc5)c4)ccc3o2)cc1.
What is the InChIKey of 2-[4-(2,6-dimethylphenyl)phenyl]-5-(3-phenylphenyl)furo[3,2-b]pyridine?
The InChIKey is FZYUQPADXMGOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25NO/c1-22-8-6-9-23(2)33(22)26-16-14-25(15-17-26)32-21-30-31(35-32)19-18-29(34-30)28-13-7-12-27(20-28)24-10-4-3-5-11-24/h3-21H,1-2H3.
What are the key properties of 2-[4-(2,6-dimethylphenyl)phenyl]-5-(3-phenylphenyl)furo[3,2-b]pyridine?
2-[4-(2,6-dimethylphenyl)phenyl]-5-(3-phenylphenyl)furo[3,2-b]pyridine has a molecular weight of 451.57 g/mol, XLogP of 9.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethylphenyl)phenyl]-5-(3-phenylphenyl)furo[3,2-b]pyridine is sourced from PubChem (CID 155629004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).