phenyl-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone

C24H20N2O — CID 4022553

IUPACphenyl-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
SMILESO=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)C1c1ccccc1
InChIInChI=1S/C24H20N2O/c27-24(18-11-5-2-6-12-18)26-16-15-20-19-13-7-8-14-21(19)25-22(20)23(26)17-9-3-1-4-10-17/h1-14,23,25H,15-16H2
InChIKeyPZQCDTFVPWETSB-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.96
Rot. Bonds2

About phenyl-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone

phenyl-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone (PubChem CID 4022553) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is phenyl-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone.

Molecular Properties

Compound Namephenyl-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
PubChem CID4022553
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Namephenyl-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
SMILESO=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)C1c1ccccc1
InChIInChI=1S/C24H20N2O/c27-24(18-11-5-2-6-12-18)26-16-15-20-19-13-7-8-14-21(19)25-22(20)23(26)17-9-3-1-4-10-17/h1-14,23,25H,15-16H2
InChIKeyPZQCDTFVPWETSB-UHFFFAOYSA-N
XLogP4.96
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone?
The IUPAC name of phenyl-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone (CID 4022553) is phenyl-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone.
What is the SMILES notation for phenyl-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone?
The canonical SMILES for phenyl-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone is O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)C1c1ccccc1.
What is the InChIKey of phenyl-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone?
The InChIKey is PZQCDTFVPWETSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c27-24(18-11-5-2-6-12-18)26-16-15-20-19-13-7-8-14-21(19)25-22(20)23(26)17-9-3-1-4-10-17/h1-14,23,25H,15-16H2.
What are the key properties of phenyl-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone?
phenyl-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone has a molecular weight of 352.44 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone is sourced from PubChem (CID 4022553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).