2,4-diphenyl-5H-chromeno[4,3-b]pyridine

C24H17NO — CID 5096779

IUPAC2,4-diphenyl-5H-chromeno[4,3-b]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccccc2OC3)cc1
InChIInChI=1S/C24H17NO/c1-3-9-17(10-4-1)20-15-22(18-11-5-2-6-12-18)25-24-19-13-7-8-14-23(19)26-16-21(20)24/h1-15H,16H2
InChIKeyLAJOKXIZSXPGTE-UHFFFAOYSA-N
MW335.41 g/mol
LogP5.97
Rot. Bonds2

About 2,4-diphenyl-5H-chromeno[4,3-b]pyridine

2,4-diphenyl-5H-chromeno[4,3-b]pyridine (PubChem CID 5096779) has the molecular formula C24H17NO and a molecular weight of 335.41 g/mol. Its IUPAC name is 2,4-diphenyl-5H-chromeno[4,3-b]pyridine.

Molecular Properties

Compound Name2,4-diphenyl-5H-chromeno[4,3-b]pyridine
PubChem CID5096779
Molecular FormulaC24H17NO
Molecular Weight335.41 g/mol
Exact Mass335.13
IUPAC Name2,4-diphenyl-5H-chromeno[4,3-b]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccccc2OC3)cc1
InChIInChI=1S/C24H17NO/c1-3-9-17(10-4-1)20-15-22(18-11-5-2-6-12-18)25-24-19-13-7-8-14-23(19)26-16-21(20)24/h1-15H,16H2
InChIKeyLAJOKXIZSXPGTE-UHFFFAOYSA-N
XLogP5.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-5H-chromeno[4,3-b]pyridine?
The IUPAC name of 2,4-diphenyl-5H-chromeno[4,3-b]pyridine (CID 5096779) is 2,4-diphenyl-5H-chromeno[4,3-b]pyridine.
What is the SMILES notation for 2,4-diphenyl-5H-chromeno[4,3-b]pyridine?
The canonical SMILES for 2,4-diphenyl-5H-chromeno[4,3-b]pyridine is c1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccccc2OC3)cc1.
What is the InChIKey of 2,4-diphenyl-5H-chromeno[4,3-b]pyridine?
The InChIKey is LAJOKXIZSXPGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO/c1-3-9-17(10-4-1)20-15-22(18-11-5-2-6-12-18)25-24-19-13-7-8-14-23(19)26-16-21(20)24/h1-15H,16H2.
What are the key properties of 2,4-diphenyl-5H-chromeno[4,3-b]pyridine?
2,4-diphenyl-5H-chromeno[4,3-b]pyridine has a molecular weight of 335.41 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-5H-chromeno[4,3-b]pyridine is sourced from PubChem (CID 5096779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).