3,5-bis(2-methylprop-2-enyl)-2,6-diphenylfuro[2,3-b]pyridine

C27H25NO — CID 102230931

IUPAC3,5-bis(2-methylprop-2-enyl)-2,6-diphenylfuro[2,3-b]pyridine
SMILESC=C(C)Cc1cc2c(CC(=C)C)c(-c3ccccc3)oc2nc1-c1ccccc1
InChIInChI=1S/C27H25NO/c1-18(2)15-22-17-24-23(16-19(3)4)26(21-13-9-6-10-14-21)29-27(24)28-25(22)20-11-7-5-8-12-20/h5-14,17H,1,3,15-16H2,2,4H3
InChIKeyDDCOQNUERIHREO-UHFFFAOYSA-N
MW379.50 g/mol
LogP7.40
Rot. Bonds6

About 3,5-bis(2-methylprop-2-enyl)-2,6-diphenylfuro[2,3-b]pyridine

3,5-bis(2-methylprop-2-enyl)-2,6-diphenylfuro[2,3-b]pyridine (PubChem CID 102230931) has the molecular formula C27H25NO and a molecular weight of 379.50 g/mol. Its IUPAC name is 3,5-bis(2-methylprop-2-enyl)-2,6-diphenylfuro[2,3-b]pyridine.

Molecular Properties

Compound Name3,5-bis(2-methylprop-2-enyl)-2,6-diphenylfuro[2,3-b]pyridine
PubChem CID102230931
Molecular FormulaC27H25NO
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name3,5-bis(2-methylprop-2-enyl)-2,6-diphenylfuro[2,3-b]pyridine
SMILESC=C(C)Cc1cc2c(CC(=C)C)c(-c3ccccc3)oc2nc1-c1ccccc1
InChIInChI=1S/C27H25NO/c1-18(2)15-22-17-24-23(16-19(3)4)26(21-13-9-6-10-14-21)29-27(24)28-25(22)20-11-7-5-8-12-20/h5-14,17H,1,3,15-16H2,2,4H3
InChIKeyDDCOQNUERIHREO-UHFFFAOYSA-N
XLogP7.40
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,6-diphenyl-3,5-bis(2-phenylprop-2-enyl)furo[2,3-b]pyridine
CID 135069606
2-(4-methoxyphenyl)-6-phenyl-3,5-bis(prop-2-enyl)furo[2,3-b]pyridine
CID 102230929
(5-ethenyl-2-phenyl-6-prop-1-en-2-yl-3-pyridinyl)methanol
CID 145483392
1-(4,5-diphenyl-1,3-oxazol-2-yl)ethane-1,2-diol
CID 18367429
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
2-(2-methylprop-2-enyl)-6-[3-(2-methylprop-2-enyl)phenyl]phenol
CID 70366879
2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline
CID 3123808
2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 58299261
[4-(hydroxymethyl)-2-methyl-5-phenylfuran-3-yl]methanol
CID 13435365
ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate
CID 14971801
2-methyl-4-(2-methylprop-2-enyl)-1-phenylbenzene
CID 146002696

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-methylprop-2-enyl)-2,6-diphenylfuro[2,3-b]pyridine?
The IUPAC name of 3,5-bis(2-methylprop-2-enyl)-2,6-diphenylfuro[2,3-b]pyridine (CID 102230931) is 3,5-bis(2-methylprop-2-enyl)-2,6-diphenylfuro[2,3-b]pyridine.
What is the SMILES notation for 3,5-bis(2-methylprop-2-enyl)-2,6-diphenylfuro[2,3-b]pyridine?
The canonical SMILES for 3,5-bis(2-methylprop-2-enyl)-2,6-diphenylfuro[2,3-b]pyridine is C=C(C)Cc1cc2c(CC(=C)C)c(-c3ccccc3)oc2nc1-c1ccccc1.
What is the InChIKey of 3,5-bis(2-methylprop-2-enyl)-2,6-diphenylfuro[2,3-b]pyridine?
The InChIKey is DDCOQNUERIHREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO/c1-18(2)15-22-17-24-23(16-19(3)4)26(21-13-9-6-10-14-21)29-27(24)28-25(22)20-11-7-5-8-12-20/h5-14,17H,1,3,15-16H2,2,4H3.
What are the key properties of 3,5-bis(2-methylprop-2-enyl)-2,6-diphenylfuro[2,3-b]pyridine?
3,5-bis(2-methylprop-2-enyl)-2,6-diphenylfuro[2,3-b]pyridine has a molecular weight of 379.50 g/mol, XLogP of 7.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-methylprop-2-enyl)-2,6-diphenylfuro[2,3-b]pyridine is sourced from PubChem (CID 102230931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).