4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]-3,6-dihydro-2H-pyridine

C22H22N2 — CID 10543298

IUPAC4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESC1=C(c2ccccc2)CCN(Cc2ccn(-c3ccccc3)c2)C1
InChIInChI=1S/C22H22N2/c1-3-7-20(8-4-1)21-12-14-23(15-13-21)17-19-11-16-24(18-19)22-9-5-2-6-10-22/h1-12,16,18H,13-15,17H2
InChIKeyLYPHIBLOFUSFAM-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.77
Rot. Bonds4

About 4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]-3,6-dihydro-2H-pyridine

4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 10543298) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID10543298
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC Name4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESC1=C(c2ccccc2)CCN(Cc2ccn(-c3ccccc3)c2)C1
InChIInChI=1S/C22H22N2/c1-3-7-20(8-4-1)21-12-14-23(15-13-21)17-19-11-16-24(18-19)22-9-5-2-6-10-22/h1-12,16,18H,13-15,17H2
InChIKeyLYPHIBLOFUSFAM-UHFFFAOYSA-N
XLogP4.77
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]-3,6-dihydro-2H-pyridine (CID 10543298) is 4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]-3,6-dihydro-2H-pyridine is C1=C(c2ccccc2)CCN(Cc2ccn(-c3ccccc3)c2)C1.
What is the InChIKey of 4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is LYPHIBLOFUSFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2/c1-3-7-20(8-4-1)21-12-14-23(15-13-21)17-19-11-16-24(18-19)22-9-5-2-6-10-22/h1-12,16,18H,13-15,17H2.
What are the key properties of 4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]-3,6-dihydro-2H-pyridine?
4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 314.43 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10543298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).