2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-phenanthridin-6-one

C27H26N2O — CID 10216071

IUPAC2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-phenanthridin-6-one
SMILESO=c1[nH]c2ccc(CCCN3CC=C(c4ccccc4)CC3)cc2c2ccccc12
InChIInChI=1S/C27H26N2O/c30-27-24-11-5-4-10-23(24)25-19-20(12-13-26(25)28-27)7-6-16-29-17-14-22(15-18-29)21-8-2-1-3-9-21/h1-5,8-14,19H,6-7,15-18H2,(H,28,30)
InChIKeyANKUJWLWOYNWFQ-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.40
Rot. Bonds5

About 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-phenanthridin-6-one

2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-phenanthridin-6-one (PubChem CID 10216071) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-phenanthridin-6-one.

Molecular Properties

Compound Name2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-phenanthridin-6-one
PubChem CID10216071
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC Name2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-phenanthridin-6-one
SMILESO=c1[nH]c2ccc(CCCN3CC=C(c4ccccc4)CC3)cc2c2ccccc12
InChIInChI=1S/C27H26N2O/c30-27-24-11-5-4-10-23(24)25-19-20(12-13-26(25)28-27)7-6-16-29-17-14-22(15-18-29)21-8-2-1-3-9-21/h1-5,8-14,19H,6-7,15-18H2,(H,28,30)
InChIKeyANKUJWLWOYNWFQ-UHFFFAOYSA-N
XLogP5.40
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-phenanthridin-6-one?
The IUPAC name of 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-phenanthridin-6-one (CID 10216071) is 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-phenanthridin-6-one.
What is the SMILES notation for 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-phenanthridin-6-one?
The canonical SMILES for 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-phenanthridin-6-one is O=c1[nH]c2ccc(CCCN3CC=C(c4ccccc4)CC3)cc2c2ccccc12.
What is the InChIKey of 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-phenanthridin-6-one?
The InChIKey is ANKUJWLWOYNWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c30-27-24-11-5-4-10-23(24)25-19-20(12-13-26(25)28-27)7-6-16-29-17-14-22(15-18-29)21-8-2-1-3-9-21/h1-5,8-14,19H,6-7,15-18H2,(H,28,30).
What are the key properties of 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-phenanthridin-6-one?
2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-phenanthridin-6-one has a molecular weight of 394.52 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-phenanthridin-6-one is sourced from PubChem (CID 10216071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).