N-(1,10-phenanthrolin-2-yl)-N-(2-pyridin-2-ylethyl)-1,10-phenanthrolin-2-amine

C31H22N6 — CID 168868560

IUPACN-(1,10-phenanthrolin-2-yl)-N-(2-pyridin-2-ylethyl)-1,10-phenanthrolin-2-amine
SMILESc1ccc(CCN(c2ccc3ccc4cccnc4c3n2)c2ccc3ccc4cccnc4c3n2)nc1
InChIInChI=1S/C31H22N6/c1-2-17-32-25(7-1)16-20-37(26-14-12-23-10-8-21-5-3-18-33-28(21)30(23)35-26)27-15-13-24-11-9-22-6-4-19-34-29(22)31(24)36-27/h1-15,17-19H,16,20H2
InChIKeyBKYFHPQGVNUMSD-UHFFFAOYSA-N
MW478.56 g/mol
LogP6.66
Rot. Bonds5

About N-(1,10-phenanthrolin-2-yl)-N-(2-pyridin-2-ylethyl)-1,10-phenanthrolin-2-amine

N-(1,10-phenanthrolin-2-yl)-N-(2-pyridin-2-ylethyl)-1,10-phenanthrolin-2-amine (PubChem CID 168868560) has the molecular formula C31H22N6 and a molecular weight of 478.56 g/mol. Its IUPAC name is N-(1,10-phenanthrolin-2-yl)-N-(2-pyridin-2-ylethyl)-1,10-phenanthrolin-2-amine.

Molecular Properties

Compound NameN-(1,10-phenanthrolin-2-yl)-N-(2-pyridin-2-ylethyl)-1,10-phenanthrolin-2-amine
PubChem CID168868560
Molecular FormulaC31H22N6
Molecular Weight478.56 g/mol
Exact Mass478.19
IUPAC NameN-(1,10-phenanthrolin-2-yl)-N-(2-pyridin-2-ylethyl)-1,10-phenanthrolin-2-amine
SMILESc1ccc(CCN(c2ccc3ccc4cccnc4c3n2)c2ccc3ccc4cccnc4c3n2)nc1
InChIInChI=1S/C31H22N6/c1-2-17-32-25(7-1)16-20-37(26-14-12-23-10-8-21-5-3-18-33-28(21)30(23)35-26)27-15-13-24-11-9-22-6-4-19-34-29(22)31(24)36-27/h1-15,17-19H,16,20H2
InChIKeyBKYFHPQGVNUMSD-UHFFFAOYSA-N
XLogP6.66
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.56
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride
CID 70116348
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 20827882
N-methyl-2-pyridin-2-yl-N-trimethylsilylethanamine
CID 91709658
zinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate
CID 139055995
2-N-methyl-2-N-(2-pyridin-2-ylethyl)quinoline-2,6-diamine
CID 43450816

Frequently Asked Questions

What is the IUPAC name of N-(1,10-phenanthrolin-2-yl)-N-(2-pyridin-2-ylethyl)-1,10-phenanthrolin-2-amine?
The IUPAC name of N-(1,10-phenanthrolin-2-yl)-N-(2-pyridin-2-ylethyl)-1,10-phenanthrolin-2-amine (CID 168868560) is N-(1,10-phenanthrolin-2-yl)-N-(2-pyridin-2-ylethyl)-1,10-phenanthrolin-2-amine.
What is the SMILES notation for N-(1,10-phenanthrolin-2-yl)-N-(2-pyridin-2-ylethyl)-1,10-phenanthrolin-2-amine?
The canonical SMILES for N-(1,10-phenanthrolin-2-yl)-N-(2-pyridin-2-ylethyl)-1,10-phenanthrolin-2-amine is c1ccc(CCN(c2ccc3ccc4cccnc4c3n2)c2ccc3ccc4cccnc4c3n2)nc1.
What is the InChIKey of N-(1,10-phenanthrolin-2-yl)-N-(2-pyridin-2-ylethyl)-1,10-phenanthrolin-2-amine?
The InChIKey is BKYFHPQGVNUMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N6/c1-2-17-32-25(7-1)16-20-37(26-14-12-23-10-8-21-5-3-18-33-28(21)30(23)35-26)27-15-13-24-11-9-22-6-4-19-34-29(22)31(24)36-27/h1-15,17-19H,16,20H2.
What are the key properties of N-(1,10-phenanthrolin-2-yl)-N-(2-pyridin-2-ylethyl)-1,10-phenanthrolin-2-amine?
N-(1,10-phenanthrolin-2-yl)-N-(2-pyridin-2-ylethyl)-1,10-phenanthrolin-2-amine has a molecular weight of 478.56 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,10-phenanthrolin-2-yl)-N-(2-pyridin-2-ylethyl)-1,10-phenanthrolin-2-amine is sourced from PubChem (CID 168868560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).