2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline

C29H24N4 — CID 139174663

IUPAC2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline
SMILESCCCCC(c1ccc2ccc3cccnc3c2n1)c1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C29H24N4/c1-2-3-8-23(24-15-13-21-11-9-19-6-4-17-30-26(19)28(21)32-24)25-16-14-22-12-10-20-7-5-18-31-27(20)29(22)33-25/h4-7,9-18,23H,2-3,8H2,1H3
InChIKeyYWTDZZMMIUVZKB-UHFFFAOYSA-N
MW428.54 g/mol
LogP7.20
Rot. Bonds5

About 2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline

2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline (PubChem CID 139174663) has the molecular formula C29H24N4 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline
PubChem CID139174663
Molecular FormulaC29H24N4
Molecular Weight428.54 g/mol
Exact Mass428.20
IUPAC Name2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline
SMILESCCCCC(c1ccc2ccc3cccnc3c2n1)c1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C29H24N4/c1-2-3-8-23(24-15-13-21-11-9-19-6-4-17-30-26(19)28(21)32-24)25-16-14-22-12-10-20-7-5-18-31-27(20)29(22)33-25/h4-7,9-18,23H,2-3,8H2,1H3
InChIKeyYWTDZZMMIUVZKB-UHFFFAOYSA-N
XLogP7.20
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

copper;acetonitrile;2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline;dihexafluorophosphate
CID 139174664
2-heptyl-1,10-phenanthroline
CID 150280165
1-quinolin-8-ylhexan-1-amine
CID 105021327
2-(4-butyl-2-pyridinyl)-1,10-phenanthroline
CID 160519522
1,1-bis(1,10-phenanthrolin-2-yl)pentan-1-ol
CID 139174658
1,10-phenanthroline;samarium
CID 174616745
CID 58385596
CID 58385596
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline?
The IUPAC name of 2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline (CID 139174663) is 2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline.
What is the SMILES notation for 2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline?
The canonical SMILES for 2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline is CCCCC(c1ccc2ccc3cccnc3c2n1)c1ccc2ccc3cccnc3c2n1.
What is the InChIKey of 2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline?
The InChIKey is YWTDZZMMIUVZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4/c1-2-3-8-23(24-15-13-21-11-9-19-6-4-17-30-26(19)28(21)32-24)25-16-14-22-12-10-20-7-5-18-31-27(20)29(22)33-25/h4-7,9-18,23H,2-3,8H2,1H3.
What are the key properties of 2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline?
2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline has a molecular weight of 428.54 g/mol, XLogP of 7.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline is sourced from PubChem (CID 139174663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).