1,1-bis(1,10-phenanthrolin-2-yl)pentan-1-ol

C29H24N4O — CID 139174658

IUPAC1,1-bis(1,10-phenanthrolin-2-yl)pentan-1-ol
SMILESCCCCC(O)(c1ccc2ccc3cccnc3c2n1)c1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C29H24N4O/c1-2-3-16-29(34,23-14-12-21-10-8-19-6-4-17-30-25(19)27(21)32-23)24-15-13-22-11-9-20-7-5-18-31-26(20)28(22)33-24/h4-15,17-18,34H,2-3,16H2,1H3
InChIKeyGKEKKEFBHVIWOT-UHFFFAOYSA-N
MW444.54 g/mol
LogP6.31
Rot. Bonds5

About 1,1-bis(1,10-phenanthrolin-2-yl)pentan-1-ol

1,1-bis(1,10-phenanthrolin-2-yl)pentan-1-ol (PubChem CID 139174658) has the molecular formula C29H24N4O and a molecular weight of 444.54 g/mol. Its IUPAC name is 1,1-bis(1,10-phenanthrolin-2-yl)pentan-1-ol.

Molecular Properties

Compound Name1,1-bis(1,10-phenanthrolin-2-yl)pentan-1-ol
PubChem CID139174658
Molecular FormulaC29H24N4O
Molecular Weight444.54 g/mol
Exact Mass444.20
IUPAC Name1,1-bis(1,10-phenanthrolin-2-yl)pentan-1-ol
SMILESCCCCC(O)(c1ccc2ccc3cccnc3c2n1)c1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C29H24N4O/c1-2-3-16-29(34,23-14-12-21-10-8-19-6-4-17-30-25(19)27(21)32-23)24-15-13-22-11-9-20-7-5-18-31-26(20)28(22)33-24/h4-15,17-18,34H,2-3,16H2,1H3
InChIKeyGKEKKEFBHVIWOT-UHFFFAOYSA-N
XLogP6.31
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1,10-phenanthrolin-2-yl)propan-2-yl]-1,10-phenanthroline
CID 139174668
2-heptyl-1,10-phenanthroline
CID 150280165
copper(1+);2-(trifluoromethyl)-1,10-phenanthroline
CID 175971875
2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline
CID 139174663
2-(2-methoxy-3,3-dimethylbutan-2-yl)-1,10-phenanthroline
CID 12994070
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
1,10-phenanthroline;samarium
CID 174616745
bis(1,10-phenanthroline);ruthenium
CID 15001085

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(1,10-phenanthrolin-2-yl)pentan-1-ol?
The IUPAC name of 1,1-bis(1,10-phenanthrolin-2-yl)pentan-1-ol (CID 139174658) is 1,1-bis(1,10-phenanthrolin-2-yl)pentan-1-ol.
What is the SMILES notation for 1,1-bis(1,10-phenanthrolin-2-yl)pentan-1-ol?
The canonical SMILES for 1,1-bis(1,10-phenanthrolin-2-yl)pentan-1-ol is CCCCC(O)(c1ccc2ccc3cccnc3c2n1)c1ccc2ccc3cccnc3c2n1.
What is the InChIKey of 1,1-bis(1,10-phenanthrolin-2-yl)pentan-1-ol?
The InChIKey is GKEKKEFBHVIWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O/c1-2-3-16-29(34,23-14-12-21-10-8-19-6-4-17-30-25(19)27(21)32-23)24-15-13-22-11-9-20-7-5-18-31-26(20)28(22)33-24/h4-15,17-18,34H,2-3,16H2,1H3.
What are the key properties of 1,1-bis(1,10-phenanthrolin-2-yl)pentan-1-ol?
1,1-bis(1,10-phenanthrolin-2-yl)pentan-1-ol has a molecular weight of 444.54 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(1,10-phenanthrolin-2-yl)pentan-1-ol is sourced from PubChem (CID 139174658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).