5-(3,5-dimethylphenyl)-2-[3,5-di(propan-2-yl)phenyl]furo[2,3-c]pyridine

C27H29NO — CID 155626050

IUPAC5-(3,5-dimethylphenyl)-2-[3,5-di(propan-2-yl)phenyl]furo[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2cc3cc(-c4cc(C(C)C)cc(C(C)C)c4)oc3cn2)c1
InChIInChI=1S/C27H29NO/c1-16(2)20-10-21(17(3)4)12-23(11-20)26-14-24-13-25(28-15-27(24)29-26)22-8-18(5)7-19(6)9-22/h7-17H,1-6H3
InChIKeyZFUBGXPQSQKJHB-UHFFFAOYSA-N
MW383.54 g/mol
LogP8.03
Rot. Bonds4

About 5-(3,5-dimethylphenyl)-2-[3,5-di(propan-2-yl)phenyl]furo[2,3-c]pyridine

5-(3,5-dimethylphenyl)-2-[3,5-di(propan-2-yl)phenyl]furo[2,3-c]pyridine (PubChem CID 155626050) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-2-[3,5-di(propan-2-yl)phenyl]furo[2,3-c]pyridine.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-2-[3,5-di(propan-2-yl)phenyl]furo[2,3-c]pyridine
PubChem CID155626050
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC Name5-(3,5-dimethylphenyl)-2-[3,5-di(propan-2-yl)phenyl]furo[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2cc3cc(-c4cc(C(C)C)cc(C(C)C)c4)oc3cn2)c1
InChIInChI=1S/C27H29NO/c1-16(2)20-10-21(17(3)4)12-23(11-20)26-14-24-13-25(28-15-27(24)29-26)22-8-18(5)7-19(6)9-22/h7-17H,1-6H3
InChIKeyZFUBGXPQSQKJHB-UHFFFAOYSA-N
XLogP8.03
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-2-[3,5-di(propan-2-yl)phenyl]furo[2,3-c]pyridine?
The IUPAC name of 5-(3,5-dimethylphenyl)-2-[3,5-di(propan-2-yl)phenyl]furo[2,3-c]pyridine (CID 155626050) is 5-(3,5-dimethylphenyl)-2-[3,5-di(propan-2-yl)phenyl]furo[2,3-c]pyridine.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-2-[3,5-di(propan-2-yl)phenyl]furo[2,3-c]pyridine?
The canonical SMILES for 5-(3,5-dimethylphenyl)-2-[3,5-di(propan-2-yl)phenyl]furo[2,3-c]pyridine is Cc1cc(C)cc(-c2cc3cc(-c4cc(C(C)C)cc(C(C)C)c4)oc3cn2)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-2-[3,5-di(propan-2-yl)phenyl]furo[2,3-c]pyridine?
The InChIKey is ZFUBGXPQSQKJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO/c1-16(2)20-10-21(17(3)4)12-23(11-20)26-14-24-13-25(28-15-27(24)29-26)22-8-18(5)7-19(6)9-22/h7-17H,1-6H3.
What are the key properties of 5-(3,5-dimethylphenyl)-2-[3,5-di(propan-2-yl)phenyl]furo[2,3-c]pyridine?
5-(3,5-dimethylphenyl)-2-[3,5-di(propan-2-yl)phenyl]furo[2,3-c]pyridine has a molecular weight of 383.54 g/mol, XLogP of 8.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-2-[3,5-di(propan-2-yl)phenyl]furo[2,3-c]pyridine is sourced from PubChem (CID 155626050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).