2-benzyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine

C25H23N — CID 10315027

IUPAC2-benzyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine
SMILESc1ccc(CN2CCC3=C(C2)C(c2ccccc2)c2ccccc23)cc1
InChIInChI=1S/C25H23N/c1-3-9-19(10-4-1)17-26-16-15-22-21-13-7-8-14-23(21)25(24(22)18-26)20-11-5-2-6-12-20/h1-14,25H,15-18H2
InChIKeyWNNUGNUPCHFHOT-UHFFFAOYSA-N
MW337.47 g/mol
LogP5.49
Rot. Bonds3

About 2-benzyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine

2-benzyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine (PubChem CID 10315027) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-benzyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine.

Molecular Properties

Compound Name2-benzyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine
PubChem CID10315027
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC Name2-benzyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine
SMILESc1ccc(CN2CCC3=C(C2)C(c2ccccc2)c2ccccc23)cc1
InChIInChI=1S/C25H23N/c1-3-9-19(10-4-1)17-26-16-15-22-21-13-7-8-14-23(21)25(24(22)18-26)20-11-5-2-6-12-20/h1-14,25H,15-18H2
InChIKeyWNNUGNUPCHFHOT-UHFFFAOYSA-N
XLogP5.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine?
The IUPAC name of 2-benzyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine (CID 10315027) is 2-benzyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine.
What is the SMILES notation for 2-benzyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine?
The canonical SMILES for 2-benzyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine is c1ccc(CN2CCC3=C(C2)C(c2ccccc2)c2ccccc23)cc1.
What is the InChIKey of 2-benzyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine?
The InChIKey is WNNUGNUPCHFHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N/c1-3-9-19(10-4-1)17-26-16-15-22-21-13-7-8-14-23(21)25(24(22)18-26)20-11-5-2-6-12-20/h1-14,25H,15-18H2.
What are the key properties of 2-benzyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine?
2-benzyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine has a molecular weight of 337.47 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine is sourced from PubChem (CID 10315027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).