2-phenyl-1,10-phenanthroline;2-pyrazin-2-yl-1,10-phenanthroline;rhenium

C34H21N6Re- — CID 153281050

IUPAC2-phenyl-1,10-phenanthroline;2-pyrazin-2-yl-1,10-phenanthroline;rhenium
SMILES[Re].[c-]1ccccc1-c1ccc2ccc3cccnc3c2n1.c1cnc2c(c1)ccc1ccc(-c3cnccn3)nc12
InChIInChI=1S/C18H11N2.C16H10N4.Re/c1-2-5-13(6-3-1)16-11-10-15-9-8-14-7-4-12-19-17(14)18(15)20-16;1-2-11-3-4-12-5-6-13(14-10-17-8-9-18-14)20-16(12)15(11)19-7-1;/h1-5,7-12H;1-10H;/q-1;;
InChIKeyMNUQTFWNLQCMJD-UHFFFAOYSA-N
MW699.79 g/mol
LogP7.49
Rot. Bonds2

About 2-phenyl-1,10-phenanthroline;2-pyrazin-2-yl-1,10-phenanthroline;rhenium

2-phenyl-1,10-phenanthroline;2-pyrazin-2-yl-1,10-phenanthroline;rhenium (PubChem CID 153281050) has the molecular formula C34H21N6Re- and a molecular weight of 699.79 g/mol. Its IUPAC name is 2-phenyl-1,10-phenanthroline;2-pyrazin-2-yl-1,10-phenanthroline;rhenium.

Molecular Properties

Compound Name2-phenyl-1,10-phenanthroline;2-pyrazin-2-yl-1,10-phenanthroline;rhenium
PubChem CID153281050
Molecular FormulaC34H21N6Re-
Molecular Weight699.79 g/mol
Exact Mass700.14
IUPAC Name2-phenyl-1,10-phenanthroline;2-pyrazin-2-yl-1,10-phenanthroline;rhenium
SMILES[Re].[c-]1ccccc1-c1ccc2ccc3cccnc3c2n1.c1cnc2c(c1)ccc1ccc(-c3cnccn3)nc12
InChIInChI=1S/C18H11N2.C16H10N4.Re/c1-2-5-13(6-3-1)16-11-10-15-9-8-14-7-4-12-19-17(14)18(15)20-16;1-2-11-3-4-12-5-6-13(14-10-17-8-9-18-14)20-16(12)15(11)19-7-1;/h1-5,7-12H;1-10H;/q-1;;
InChIKeyMNUQTFWNLQCMJD-UHFFFAOYSA-N
XLogP7.49
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.79
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Tris(1,10-phenanthroline)iron(2+)
CID 84602
Tris(1,10-phenanthroline); dichlororuthenium
CID 6096197
1-Pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole
CID 71539896
Delta-[ru(Bpy)2dppz]2+
CID 57336495
Bis(1,10-phenanthroline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 57339425
Tris-(1,10-phenanthroline)ruthenium
CID 146725
Triphenanthrolinecobalt(III)
CID 167568
(+)-Tris(1,10-phenanthroline)ruthenium(II)
CID 167804
Cu(II)(phen-cyclam)
CID 467378
Ru(II)(phen)2(phen-cyclen-2H+)
CID 16683884
Ru(II)(phen)2(phen-cyclam-Ni(II)
CID 16683885
Ru(II)(phen)2(phen-cyclam-Cu(II)
CID 16683886

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,10-phenanthroline;2-pyrazin-2-yl-1,10-phenanthroline;rhenium?
The IUPAC name of 2-phenyl-1,10-phenanthroline;2-pyrazin-2-yl-1,10-phenanthroline;rhenium (CID 153281050) is 2-phenyl-1,10-phenanthroline;2-pyrazin-2-yl-1,10-phenanthroline;rhenium.
What is the SMILES notation for 2-phenyl-1,10-phenanthroline;2-pyrazin-2-yl-1,10-phenanthroline;rhenium?
The canonical SMILES for 2-phenyl-1,10-phenanthroline;2-pyrazin-2-yl-1,10-phenanthroline;rhenium is [Re].[c-]1ccccc1-c1ccc2ccc3cccnc3c2n1.c1cnc2c(c1)ccc1ccc(-c3cnccn3)nc12.
What is the InChIKey of 2-phenyl-1,10-phenanthroline;2-pyrazin-2-yl-1,10-phenanthroline;rhenium?
The InChIKey is MNUQTFWNLQCMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N2.C16H10N4.Re/c1-2-5-13(6-3-1)16-11-10-15-9-8-14-7-4-12-19-17(14)18(15)20-16;1-2-11-3-4-12-5-6-13(14-10-17-8-9-18-14)20-16(12)15(11)19-7-1;/h1-5,7-12H;1-10H;/q-1;;.
What are the key properties of 2-phenyl-1,10-phenanthroline;2-pyrazin-2-yl-1,10-phenanthroline;rhenium?
2-phenyl-1,10-phenanthroline;2-pyrazin-2-yl-1,10-phenanthroline;rhenium has a molecular weight of 699.79 g/mol, XLogP of 7.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,10-phenanthroline;2-pyrazin-2-yl-1,10-phenanthroline;rhenium is sourced from PubChem (CID 153281050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).